-
Notifications
You must be signed in to change notification settings - Fork 8
/
Copy pathcompounds.yaml
1913 lines (1913 loc) · 42.7 KB
/
compounds.yaml
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
506
507
508
509
510
511
512
513
514
515
516
517
518
519
520
521
522
523
524
525
526
527
528
529
530
531
532
533
534
535
536
537
538
539
540
541
542
543
544
545
546
547
548
549
550
551
552
553
554
555
556
557
558
559
560
561
562
563
564
565
566
567
568
569
570
571
572
573
574
575
576
577
578
579
580
581
582
583
584
585
586
587
588
589
590
591
592
593
594
595
596
597
598
599
600
601
602
603
604
605
606
607
608
609
610
611
612
613
614
615
616
617
618
619
620
621
622
623
624
625
626
627
628
629
630
631
632
633
634
635
636
637
638
639
640
641
642
643
644
645
646
647
648
649
650
651
652
653
654
655
656
657
658
659
660
661
662
663
664
665
666
667
668
669
670
671
672
673
674
675
676
677
678
679
680
681
682
683
684
685
686
687
688
689
690
691
692
693
694
695
696
697
698
699
700
701
702
703
704
705
706
707
708
709
710
711
712
713
714
715
716
717
718
719
720
721
722
723
724
725
726
727
728
729
730
731
732
733
734
735
736
737
738
739
740
741
742
743
744
745
746
747
748
749
750
751
752
753
754
755
756
757
758
759
760
761
762
763
764
765
766
767
768
769
770
771
772
773
774
775
776
777
778
779
780
781
782
783
784
785
786
787
788
789
790
791
792
793
794
795
796
797
798
799
800
801
802
803
804
805
806
807
808
809
810
811
812
813
814
815
816
817
818
819
820
821
822
823
824
825
826
827
828
829
830
831
832
833
834
835
836
837
838
839
840
841
842
843
844
845
846
847
848
849
850
851
852
853
854
855
856
857
858
859
860
861
862
863
864
865
866
867
868
869
870
871
872
873
874
875
876
877
878
879
880
881
882
883
884
885
886
887
888
889
890
891
892
893
894
895
896
897
898
899
900
901
902
903
904
905
906
907
908
909
910
911
912
913
914
915
916
917
918
919
920
921
922
923
924
925
926
927
928
929
930
931
932
933
934
935
936
937
938
939
940
941
942
943
944
945
946
947
948
949
950
951
952
953
954
955
956
957
958
959
960
961
962
963
964
965
966
967
968
969
970
971
972
973
974
975
976
977
978
979
980
981
982
983
984
985
986
987
988
989
990
991
992
993
994
995
996
997
998
999
1000
- id: m_10fthf_c
name: 10_Formyltetrahydrofolate__C20H21N7O7
charge: -2
- id: m_12dgr_cn_c
name: 1_2_Diacylglycerol_Cyanothece__C1824H3314O250
charge: 0
- id: m_13dpg_c
name: 3_Phospho_D_glyceroyl_phosphate__C3H4O10P2
charge: -4
- id: m_14glun_c
name: 1_4_alpha_D_Glucan__C6H10O5
charge: 0
- id: m_15dap_c
name: 1_5_Diaminopentane__C5H16N2
charge: 2
- id: m_1ag3p_cn_c
name: 1_Acyl_sn_glycerol_3_phosphate_Cyanothece__C987H1807O350P50
charge: -100
- id: m_1ap2ol_c
name: 1_Aminopropan_2_ol__C3H10NO
charge: 1
- id: m_1ap2olp_c
name: D_1_Aminopropan_2_ol_O_phosphate__C3H9NO4P
charge: -1
- id: m_1p3h5c_c
name: L_1_Pyrroline_3_hydroxy_5_carboxylate__C5H6NO3
charge: -1
- id: m_1pyr5c_c
name: 1_Pyrroline_5_carboxylate__C5H6NO2
charge: -1
- id: m_22hop_c
name: 22_Hopanol__C30H52O
charge: 0
- id: m_23dhdp_c
name: 2_3_Dihydrodipicolinate__C7H5NO4
charge: -2
- id: m_23dhmb_c
name: R_2_3_Dihydroxy_3_methylbutanoate__C5H9O4
charge: -1
- id: m_23dhmp_c
name: R_2_3_Dihydroxy_3_methylpentanoate__C6H11O4
charge: -1
- id: m_25aics_c
name: S_2_5_Amino_1_5_phospho_D_ribosylimidazole_4_carboxamidosuccinate__C13H15N4O12P
charge: -4
- id: m_25dhpp_c
name: 2_5_Diamino_6_hydroxy_4_5_phosphoribosylamino_pyrimidine__C9H14N5O8P
charge: -2
- id: m_26dap_ll_c
name: LL_2_6_Diaminoheptanedioate__C7H14N2O4
charge: 0
- id: m_26dap_m_c
name: meso_2_6_Diaminoheptanedioate__C7H14N2O4
charge: 0
- id: m_2ahbut_c
name: S_2_Aceto_2_hydroxybutanoate__C6H9O4
charge: -1
- id: m_2ahhmd_c
name: 2_Amino_4_hydroxy_6_hydroxymethyl_7_8_dihydropteridine_diphosphate__C7H8N5O8P2
charge: -3
- id: m_2ahhmp_c
name: 2_Amino_4_hydroxy_6_hydroxymethyl_7_8_dihydropteridine__C7H9N5O2
charge: 0
- id: m_2aobut_c
name: L_2_Amino_3_oxobutanoate__C4H7NO3
charge: 0
- id: m_2beacp_c
name: But_2_enoyl_acyl_carrier_protein__C4H5OX
charge: 0
- id: m_2cpr5p_c
name: 1_2_Carboxyphenylamino_1_deoxy_D_ribulose_5_phosphate__C12H13NO9P
charge: -3
- id: m_2dda7p_c
name: 2_Dehydro_3_deoxy_D_arabino_heptonate_7_phosphate__C7H10O10P
charge: -3
- id: m_2ddg6p_c
name: 2_Dehydro_3_deoxy_D_gluconate_6_phosphate__C6H8O9P
charge: -3
- id: m_2dhp_c
name: 2_Dehydropantoate__C6H9O4
charge: -1
- id: m_2dr5p_c
name: 2_Deoxy_D_ribose_5_phosphate__C5H9O7P
charge: -2
- id: m_2h3opp_c
name: 2_Hydroxy_3_oxopropanoate__C3H3O4
charge: -1
- id: m_2hbut_c
name: 2_Hydroxybutyrate__C4H7O3
charge: -1
- id: m_2ippm_c
name: 2_Isopropylmaleate__C7H8O4
charge: -2
- id: m_2mahmp_c
name: 2_Methyl_4_amino_5_hydroxymethylpyrimidine_diphosphate__C6H8N3O7P2
charge: -3
- id: m_2me4p_c
name: 2_C_methyl_D_erythritol_4_phosphate__C5H11O7P
charge: -2
- id: m_2mecdp_c
name: 2_C_methyl_D_erythritol_2_4_cyclodiphosphate__C5H10O9P2
charge: -2
- id: m_2obut_c
name: 2_Oxobutanoate__C4H5O3
charge: -1
- id: m_2p4c2me_c
name: 2_phospho_4_cytidine_5_diphospho_2_C_methyl_D_erythritol__C14H22N3O17P3
charge: -4
- id: m_2pg_c
name: D_Glycerate_2_phosphate__C3H4O7P
charge: -3
- id: m_2pglyc_c
name: 2_Phosphoglycolate__C2H2O6P
charge: -3
- id: m_2shchc_c
name: 2_Succinyl_6_hydroxy_2_4_cyclohexadiene_1_carboxylate__C11H10O6
charge: -2
- id: m_2tddacp_c
name: trans_Dodec_2_enoyl_acyl_carrier_protein__C12H21OX
charge: 0
- id: m_2tdeacp_c
name: trans_Dec_2_enoyl_acyl_carrier_protein__C10H17OX
charge: 0
- id: m_2theacp_c
name: trans_Hex_2_enoyl_acp__C6H9OX
charge: 0
- id: m_2tocdacp_c
name: trans_Octadec_2_enoyl_acyl_carrier_protein__C18H33OX
charge: 0
- id: m_2toceacp_c
name: trans_Oct_2_enoyl_acp__C8H13OX
charge: 0
- id: m_34hpp_c
name: 3_4_Hydroxyphenylpyruvate__C9H7O4
charge: -1
- id: m_3c2hmp_c
name: 3_Carboxy_2_hydroxy_4_methylpentanoate__C7H10O5
charge: -2
- id: m_3c3hmp_c
name: 3_Carboxy_3_hydroxy_4_methylpentanoate__C7H10O5
charge: -2
- id: m_3c4mop_c
name: 3_Carboxy_4_methyl_2_oxopentanoate__C7H8O5
charge: -2
- id: m_3dhq_c
name: 3_Dehydroquinate__C7H9O6
charge: -1
- id: m_3dhsk_c
name: 3_Dehydroshikimate__C7H7O5
charge: -1
- id: m_3hbacp_c
name: 3R_3_Hydroxybutanoyl_acyl_carrier_protein__C4H7O2X
charge: 0
- id: m_3hddacp_c
name: R_3_Hydroxydodecanoyl_acyl_carrier_protein__C12H23O2X
charge: 0
- id: m_3hdeacp_c
name: 3R_3_Hydroxydecanoyl_acyl_carrier_protein__C10H19O2X
charge: 0
- id: m_3hhacp_c
name: R_3_Hydroxyhexanoyl_acp__C6H11O2X
charge: 0
- id: m_3hocacp_c
name: R_3_Hydroxyoctanoyl_acyl_carrier_protein__C8H15O2X
charge: 0
- id: m_3hocdacp_c
name: 3R_3_Hydroxyoctadecanoyl_acyl_carrier_protein__C18H35O2X
charge: 0
- id: m_3hpaacp_c
name: 3R_3_Hydroxypalmitoyl_acyl_carrier_protein__C16H31O2X
charge: 0
- id: m_3htdacp_c
name: 3R_3_Hydroxytetradecanoyl_acyl_carrier_protein__C14H27O2X
charge: 0
- id: m_3ig3p_c
name: C_3_Indolyl_glycerol_3_phosphate__C11H12NO6P
charge: -2
- id: m_3mob_c
name: 3_Methyl_2_oxobutanoate__C5H7O3
charge: -1
- id: m_3mop_c
name: S_3_Methyl_2_oxopentanoate__C6H9O3
charge: -1
- id: m_3oxddacp_c
name: 3_Oxododecanoyl_acyl_carrier_protein__C12H21O2X
charge: 0
- id: m_3oxdeacp_c
name: 3_Oxodecanoyl_acyl_carrier_protein__C10H17O2X
charge: 0
- id: m_3oxhacp_c
name: 3_Oxohexanoyl_acyl_carrier_protein__C6H9O2X
charge: 0
- id: m_3oxhdacp_c
name: 3_Oxohexadecanoyl_acp__C16H29O2X
charge: 0
- id: m_3oxocacp_c
name: 3_Oxooctanoyl_acyl_carrier_protein__C8H13O2X
charge: 0
- id: m_3oxocdacp_c
name: 3_Oxooctadecanoyl_acp__C18H33O2X
charge: 0
- id: m_3oxtdacp_c
name: 3_Oxotetradecanoyl_acyl_carrier_protein__C14H25O2X
charge: 0
- id: m_3pg_c
name: 3_Phospho_D_glycerate__C3H4O7P
charge: -3
- id: m_3php_c
name: 3_Phosphohydroxypyruvate__C3H2O7P
charge: -3
- id: m_3psme_c
name: 5_O_1_Carboxyvinyl_3_phosphoshikimate__C10H9O10P
charge: -4
- id: m_4abz_c
name: 4_Aminobenzoate__C7H6NO2
charge: -1
- id: m_4adcho_c
name: 4_amino_4_deoxychorismate__C10H10NO5
charge: -1
- id: m_4ahmmp_c
name: 4_Amino_5_hydroxymethyl_2_methylpyrimidine__C6H9N3O
charge: 0
- id: m_4ampm_c
name: 4_Amino_2_methyl_5_phosphomethylpyrimidine__C6H8N3O4P
charge: -2
- id: m_4c2me_c
name: 4_cytidine_5_diphospho_2_C_methyl_D_erythritol__C14H23N3O14P2
charge: -2
- id: m_4h2oxg_c
name: D_4_Hydroxy_2_oxoglutarate__C5H4O6
charge: -2
- id: m_4hba_c
name: 4_Hydroxy_benzyl_alcohol__C7H8O2
charge: 0
- id: m_4hpro_lt_c
name: trans_4_Hydroxy_L_proline__C5H9NO3
charge: 0
- id: m_4mop_c
name: 4_Methyl_2_oxopentanoate__C6H9O3
charge: -1
- id: m_4mpetz_c
name: 4_Methyl_5_2_phosphoethyl_thiazole__C6H8NO4PS
charge: -2
- id: m_4pasp_c
name: 4_Phospho_L_aspartate__C4H6NO7P
charge: -2
- id: m_4per_c
name: 4_Phospho_D_erythronate__C4H6O8P
charge: -3
- id: m_4ppan_c
name: D_4_Phosphopantothenate__C9H15NO8P
charge: -3
- id: m_4ppcys_c
name: N_R_4_Phosphopantothenoyl_L_cysteine__C12H20N2O9PS
charge: -3
- id: m_4r5au_c
name: 4_1_D_Ribitylamino_5_aminouracil__C9H16N4O6
charge: 0
- id: m_5678thh_c
name: 6R_6_L_erythro_1_2_Dihydroxypropyl_5_6_7_8_tetrahydro_4a_hydroypterin__C9H14N4O3
charge: 0
- id: m_5aizc_c
name: 5_amino_1_5_phospho_D_ribosylimidazole_4_carboxylate__C9H11N3O9P
charge: -3
- id: m_5aop_c
name: 5_Amino_4_oxopentanoate__C5H9NO3
charge: 0
- id: m_5aprbu_c
name: 5_Amino_6_5_phosphoribitylaminouracil__C9H15N4O9P
charge: -2
- id: m_5apru_c
name: 5_Amino_6_5_phosphoribosylaminouracil__C9H13N4O9P
charge: -2
- id: m_5fothf_c
name: 5_Formyltetrahydrofolate__C20H21N7O7
charge: -2
- id: m_5mcsn_c
name: 5_Methylcytosine__C5H7N3O
charge: 0
- id: m_5mdr1p_c
name: 5_Methylthio_5_deoxy_D_ribose_1_phosphate__C6H11O7PS
charge: -2
- id: m_5mta_c
name: 5_Methylthioadenosine__C11H15N5O3S
charge: 0
- id: m_5mthf_c
name: 5_Methyltetrahydrofolate__C20H24N7O6
charge: -1
- id: m_5mthglu_c
name: 5_Methyltetrahydropteroyltri_L_glutamate__C25H34N8O12
charge: -2
- id: m_5oxpro_c
name: 5_Oxoproline__C5H6NO3
charge: -1
- id: m_6pgc_c
name: 6_Phospho_D_gluconate__C6H10O10P
charge: -3
- id: m_6pgl_c
name: 6_phospho_D_glucono_1_5_lactone__C6H9O9P
charge: -2
- id: m_6pthp_c
name: 6_Pyruvoyl_5_6_7_8_tetrahydropterin__C9H11N5O3
charge: 0
- id: m_78dhp_c
name: 6R_6_L_erythro_1_2_Dihydroxypropyl_7_8_dihydro_6H_pterin__C9H12N4O2
charge: 0
- id: m_8aonn_c
name: 8_Amino_7_oxononanoate__C9H17NO3
charge: 0
- id: m_9hdeacp_c
name: Palmitoleic_acid__C16H29OX
charge: 0
- id: m_ac_c
name: Acetate__C2H3O2
charge: -1
- id: m_acacp_c
name: Acetyl_ACP__C2H3OX
charge: 0
- id: m_acald_c
name: Acetaldehyde__C2H4O
charge: 0
- id: m_accoa_c
name: Acetyl_CoA__C23H34N7O17P3S
charge: -4
- id: m_acg5p_c
name: N_Acetyl_L_glutamyl_5_phosphate__C7H9NO8P
charge: -3
- id: m_acg5sa_c
name: N_Acetyl_L_glutamate_5_semialdehyde__C7H10NO4
charge: -1
- id: m_acgam1p_c
name: N_Acetyl_D_glucosamine_1_phosphate__C8H14NO9P
charge: -2
- id: m_acgam6p_c
name: N_Acetyl_D_glucosamine_6_phosphate__C8H14NO9P
charge: -2
- id: m_acglu_c
name: N_Acetyl_L_glutamate__C7H9NO5
charge: -2
- id: m_achms_c
name: O_Acetyl_L_homoserine__C6H11NO4
charge: 0
- id: m_acmam_c
name: N_Acetyl_D_muramoate__C11H18NO8
charge: -1
- id: m_acmama_c
name: N_Acetyl_D_muramoyl_L_alanine__C14H23N2O9
charge: -1
- id: m_acmana_c
name: N_Acetyl_D_mannosamine__C8H15NO6
charge: 0
- id: m_acmana_e
name: N_Acetyl_D_mannosamine__C8H15NO6
charge: 0
- id: m_acmanap_c
name: N_Acetyl_D_mannosamine_6_phosphate__C8H14NO9P
charge: -2
- id: m_acnam_c
name: N_Acetylneuraminate__C11H18NO9
charge: -1
- id: m_acorn_c
name: N2_Acetyl_L_ornithine__C7H14N2O3
charge: 0
- id: m_acp_c
name: Acyl_carrier_protein__HX
charge: 0
- id: m_acser_c
name: O_Acetyl_L_serine__C5H9NO4
charge: 0
- id: m_actacp_c
name: Acetoacetyl_ACP__C4H5O2X
charge: 0
- id: m_actp_c
name: Acetyl_phosphate__C2H3O5P
charge: -2
- id: m_adcoba_c
name: Adenosyl_cobinamide__C58H84CoN16O11
charge: 1
- id: m_adcobap_c
name: Adenosyl_cobinamide_phosphate__C58H83CoN16O14P
charge: -1
- id: m_adcobdam_c
name: Adenosyl_cobyrinate_diamide__C55H68CoN11O15
charge: -4
- id: m_adcobhex_c
name: Adenosyl_cobyric_acid__C55H76CoN15O11
charge: 0
- id: m_ade_c
name: Adenine__C5H5N5
charge: 0
- id: m_adgcoba_c
name: Adenosine_GDP_cobinamide__C68H95CoN21O21P2
charge: -1
- id: m_adn_c
name: Adenosine__C10H13N5O4
charge: 0
- id: m_adp_c
name: ADP__C10H12N5O10P2
charge: -3
- id: m_adpglc_c
name: ADPglucose__C16H23N5O15P2
charge: -2
- id: m_adprib_c
name: ADPribose__C15H21N5O14P2
charge: -2
- id: m_ahcys_c
name: S_Adenosyl_L_homocysteine__C14H20N6O5S
charge: 0
- id: m_ahdt_c
name: 2_Amino_4_hydroxy_6_erythro_1_2_3_trihydroxypropyldihydropteridine_triphosphate__C9H12N5O13P3
charge: -4
- id: m_aicar_c
name: 5_Amino_1_5_Phospho_D_ribosylimidazole_4_carboxamide__C9H13N4O8P
charge: -2
- id: m_air_c
name: 5_amino_1_5_phospho_D_ribosylimidazole__C8H12N3O7P
charge: -2
- id: m_akg_c
name: 2_Oxoglutarate__C5H4O5
charge: -2
- id: m_ala_b_c
name: beta_Alanine__C3H7NO2
charge: 0
- id: m_ala_d_c
name: D_Alanine__C3H7NO2
charge: 0
- id: m_ala_d_e
name: D_Alanine__C3H7NO2
charge: 0
- id: m_ala_l_c
name: L_Alanine__C3H7NO2
charge: 0
- id: m_ala_l_e
name: L_Alanine__C3H7NO2
charge: 0
- id: m_alaala_c
name: D_Alanyl_D_alanine__C6H12N2O3
charge: 0
- id: m_alac_s_c
name: S_2_Acetolactate__C5H7O4
charge: -1
- id: m_alatrna_c
name: L_Alanyl_tRNAAla__C3H7NO2X
charge: 1
- id: m_amet_c
name: S_Adenosyl_L_methionine__C15H23N6O5S
charge: 1
- id: m_amet_e
name: S_Adenosyl_L_methionine__C15H23N6O5S
charge: 1
- id: m_amob_c
name: S_Adenosyl_4_methylthio_2_oxobutanoate__C15H19N5O6S
charge: 0
- id: m_amopbut_l_c
name: 2_Amino_3_oxo_4_phosphonooxybutyrate__C4H6NO7P
charge: -2
- id: m_amoppro_c
name: 3_Amino_2_oxopropyl_phosphate__C3H6NO5P
charge: -2
- id: m_amp_c
name: AMP__C10H12N5O7P
charge: -2
- id: m_anth_c
name: Anthranilate__C7H6NO2
charge: -1
- id: m_ap4a_c
name: P1_P4_Bis5_adenosyl_tetraphosphate__C20H24N10O19P4
charge: -4
- id: m_apoacp_c
name: Apoprotein_acyl_carrier_protein__RHO
charge: 0
- id: m_aps_c
name: Adenosine_5_phosphosulfate__C10H12N5O10PS
charge: -2
- id: m_arg_l_asp_l_asp_l_c
name: Cyanophycin_monomer_with_aspartate__C14H25N6O8
charge: 1
- id: m_arg_l_asp_l_c
name: L_arginine_L_aspartate_monomer_of_cyanophycin__C10H20N5O5
charge: 1
- id: m_arg_l_c
name: L_Arginine__C6H15N4O2
charge: 1
- id: m_argsuc_c
name: Nomega_L_Argininosuccinate__C10H17N4O6
charge: -1
- id: m_argtrna_c
name: L_Arginyl_tRNAArg__C6H15N4O2X
charge: 2
- id: m_arsna_c
name: Arsenate__AsHO4
charge: -2
- id: m_arsni2_c
name: Arsenite__AsH3O3
charge: 0
- id: m_arsni2_e
name: Arsenite__AsH3O3
charge: 0
- id: m_asn_l_c
name: L_Asparagine__C4H8N2O3
charge: 0
- id: m_asn_l_e
name: L_Asparagine__C4H8N2O3
charge: 0
- id: m_asntrna_c
name: L_Asparaginyl_tRNAAsn__C4H8N2O3X
charge: 1
- id: m_asp_l_c
name: L_Aspartate__C4H6NO4
charge: -1
- id: m_asp_l_e
name: L_Aspartate__C4H6NO4
charge: -1
- id: m_aspsa_c
name: L_Aspartate_4_semialdehyde__C4H7NO3
charge: 0
- id: m_asptrna_asn_c
name: L_Aspartyl_tRNAAsn__C4H6NO4X
charge: 0
- id: m_asptrna_c
name: L_Aspartyl_tRNAAsp__C4H6NO4X
charge: 0
- id: m_atp_c
name: ATP__C10H12N5O13P3
charge: -4
- id: m_btamp_c
name: Biotinyl_5_AMP__C20H27N7O9PS
charge: -1
- id: m_btn_c
name: Biotin__C10H15N2O3S
charge: -1
- id: m_butacp_c
name: Butyryl_acyl_carrier_protein__C4H7OX
charge: 0
- id: m_ca2_c
name: Calcium__Ca
charge: 2
- id: m_ca2_e
name: Calcium__Ca
charge: 2
- id: m_cbasp_c
name: N_Carbamoyl_L_aspartate__C5H6N2O5
charge: -2
- id: m_cbp_c
name: Carbamoyl_phosphate__CH2NO5P
charge: -2
- id: m_cdp_c
name: CDP__C9H12N3O11P2
charge: -3
- id: m_cdpdag_cn_c
name: CDPDiacylglycerol_Cyanothece__C2274H3864O750P100N150
charge: -100
- id: m_cell_c
name: Cellulose__C6H10O5
charge: 0
- id: m_cgly_c
name: Cys_Gly__C5H10N2O3S
charge: 0
- id: m_chla_c
name: Chlorophyll_a__C55H72MgN4O5
charge: 2
- id: m_chor_c
name: Chorismate__C10H8O6
charge: -2
- id: m_cico_c
name: 2_Methylmaleate__C5H4O4
charge: -2
- id: m_cima_c
name: Citramalate__C5H6O5
charge: -2
- id: m_cit_c
name: Citrate__C6H5O7
charge: -3
- id: m_citr_l_c
name: L_Citrulline__C6H13N3O3
charge: 0
- id: m_clpyda_c
name: Chlorophyllide_a__C35H33MgN4O5
charge: 1
- id: m_cmp_c
name: CMP__C9H12N3O8P
charge: -2
- id: m_cmpacna_c
name: CMP_N_acetylneuraminate__C20H29N4O16P
charge: -2
- id: m_co1dam_c
name: CobIyrinate_a_c_diamide__C45H59CoN6O12
charge: -4
- id: m_co2_c
name: CO2__CO2
charge: 0
- id: m_co2_e
name: CO2__CO2
charge: 0
- id: m_co2dam_1_c
name: CobIIyrinate_a_c_diamide__C45H56CoN6O12
charge: -4
- id: m_co2dam_c
name: CobIIyrinate_a_c_diamide__C45H59CoN6O12
charge: -3
- id: m_coa_c
name: Coenzyme_A__C21H32N7O16P3S
charge: -4
- id: m_cobalt2_c
name: Co2+__Co
charge: 2
- id: m_cobalt2_e
name: Co2__Co
charge: 2
- id: m_cobamcoa_c
name: Cobamide_coenzyme__C72H100CoN18O17P
charge: 0
- id: m_cpppg3_c
name: Coproporphyrinogen_III__C36H40N4O8
charge: -4
- id: m_creat_c
name: Creatine__C4H9N3O2
charge: 0
- id: m_crtn_c
name: Creatinine__C4H7N3O
charge: 0
- id: m_csn_c
name: Cytosine__C4H5N3O
charge: 0
- id: m_ctp_c
name: CTP__C9H12N3O14P3
charge: -4
- id: m_cu2_c
name: Cu2+__Cu
charge: 2
- id: m_cu2_e
name: Cu2__Cu
charge: 2
- id: m_cyanophycin_c
name: Cyanophycin_dimer__C20H38N10O9
charge: 2
- id: m_cyc6_ox_c
name: Cytochrome_c6_oxidized_form__FeX
charge: 3
- id: m_cyc6_rd_c
name: Cytochrome_c6_reduced_form__FeX
charge: 2
- id: m_cys_l_c
name: L_Cysteine__C3H7NO2S
charge: 0
- id: m_cystrna_c
name: L_Cysteinyl_tRNACys__C3H7NO2SX
charge: 1
- id: m_cytd_c
name: Cytidine__C9H13N3O5
charge: 0
- id: m_dad_2_c
name: Deoxyadenosine__C10H13N5O3
charge: 0
- id: m_dad_5_c
name: 5_Deoxyadenosine__C10H13N5O3
charge: 0
- id: m_dadp_c
name: dADP__C10H12N5O9P2
charge: -3
- id: m_damp_c
name: dAMP__C10H12N5O6P
charge: -2
- id: m_dann_c
name: 7_8_Diaminononanoate__C9H21N2O2
charge: 1
- id: m_datp_c
name: dATP__C10H12N5O12P3
charge: -4
- id: m_db4p_c
name: 3_4_dihydroxy_2_butanone_4_phosphate__C4H7O6P
charge: -2
- id: m_dcamp_c
name: N6_1_2_Dicarboxyethyl_AMP__C14H14N5O11P
charge: -4
- id: m_dcdp_c
name: dCDP__C9H12N3O10P2
charge: -3
- id: m_dcmp_c
name: dCMP__C9H12N3O7P
charge: -2
- id: m_dctp_c
name: dCTP__C9H12N3O13P3
charge: -4
- id: m_dcyt_c
name: Deoxycytidine__C9H13N3O4
charge: 0
- id: m_ddcaacp_c
name: Dodecanoyl_ACP_n_C12:0ACP__C12H23OX
charge: 0
- id: m_decacp_c
name: Decanoyl_acyl_carrier_protein__C10H19OX
charge: 0
- id: m_dgdg_cn_c
name: Digalactosyldiacylglycerol_Cyanothece__C2424H4314O750
charge: 0
- id: m_dgdp_c
name: dGDP__C10H12N5O10P2
charge: -3
- id: m_dgmp_c
name: dGMP__C10H12N5O7P
charge: -2
- id: m_dgsn_c
name: Deoxyguanosine__C10H13N5O4
charge: 0
- id: m_dgtp_c
name: dGTP__C10H12N5O13P3
charge: -4
- id: m_dha_c
name: Dihydroxyacetone__C3H6O3
charge: 0
- id: m_dhap_c
name: Dihydroxyacetone_phosphate__C3H5O6P
charge: -2
- id: m_dhf_c
name: 7_8_Dihydrofolate__C19H19N7O6
charge: -2
- id: m_dhna_c
name: 1_4_Dihydroxy_2_naphthoate__C11H7O4
charge: -1
- id: m_dhnpt_c
name: 2_Amino_4_hydroxy_6_D_erythro_1_2_3_trihydroxypropyl_7_8_dihydropteridine__C9H13N5O4
charge: 0
- id: m_dhor_s_c
name: S_Dihydroorotate__C5H5N2O4
charge: -1
- id: m_dhpt_c
name: Dihydropteroate__C14H13N6O3
charge: -1
- id: m_din_c
name: Deoxyinosine__C10H12N4O4
charge: 0
- id: m_dmlz_c
name: 6_7_Dimethyl_8_1_D_ribityllumazine__C13H18N4O6
charge: 0
- id: m_dmphq_c
name: 2_Phytyl_1_4_naphthoquinone__C30H44O2
charge: 0
- id: m_dmpp_c
name: Dimethylallyl_diphosphate__C5H9O7P2
charge: -3
- id: m_dna_cn_c
name: DNA__Cyanothece_51142__C981H1131N369O600P100
charge: -100
- id: m_dnad_c
name: Deamino_NAD+__C21H24N6O15P2
charge: -2
- id: m_dpcoa_c
name: Dephospho_CoA__C21H33N7O13P2S
charge: -2
- id: m_dplpt_c
name: Diploptene__C30H50
charge: 0
- id: m_drib_c
name: Deoxyribose__C5H10O4
charge: 0
- id: m_dtbt_c
name: Dethiobiotin__C10H17N2O3
charge: -1
- id: m_dtdp6dm_c
name: dTDP_6_deoxy_L_mannose__C16H24N2O15P2
charge: -2
- id: m_dtdp_c
name: dTDP__C10H13N2O11P2
charge: -3
- id: m_dtdpddg_c
name: dTDP_4_dehydro_6_deoxy_D_glucose__C16H22N2O15P2
charge: -2
- id: m_dtdpddm_c
name: dTDP_4_dehydro_6_deoxy_L_mannose__C16H22N2O15P2
charge: -2
- id: m_dtdpglc_c
name: dTDPglucose__C16H24N2O16P2
charge: -2
- id: m_dtmp_c
name: dTMP__C10H13N2O8P
charge: -2
- id: m_dtpcudcpp_c
name: di_trans_poly_cis_Undecaprenyl_diphosphate__C55H89O7P2
charge: -3
- id: m_dttp_c
name: dTTP__C10H13N2O14P3
charge: -4
- id: m_dudp_c
name: dUDP__C9H11N2O11P2
charge: -3
- id: m_dump_c
name: dUMP__C9H11N2O8P
charge: -2
- id: m_duri_c
name: Deoxyuridine__C9H12N2O5
charge: 0
- id: m_dutp_c
name: dUTP__C9H11N2O14P3
charge: -4
- id: m_dvpc_c
name: Divinylprotochlorophyllide__C35H29MgN4O5
charge: 1
- id: m_dxyl5p_c
name: 1_deoxy_D_xylulose_5_phosphate__C5H9O7P
charge: -2
- id: m_e4h2oxg_c
name: L_erythro_4_Hydroxyglutamate__C5H8NO5
charge: -1
- id: m_e4p_c
name: D_Erythrose_4_phosphate__C4H7O7P
charge: -2
- id: m_eig3p_c
name: D_erythro_1_Imidazol_4_ylglycerol_3_phosphate__C6H9N2O6P
charge: -2
- id: m_emma_c
name: D_erythro_3_Methylmalate__C5H6O5
charge: -2
- id: m_etoh_c
name: Ethanol__C2H6O
charge: 0
- id: m_etoh_e
name: Ethanol__C2H6O
charge: 0
- id: m_f1p_c
name: D_Fructose_1_phosphate__C6H11O9P
charge: -2
- id: m_f6p_c
name: D_Fructose_6_phosphate__C6H11O9P
charge: -2
- id: m_fad_c
name: FAD__C27H31N9O15P2
charge: -2
- id: m_fadh2_c
name: FADH2__C27H33N9O15P2
charge: -2
- id: m_fdp_c
name: D_Fructose_1_6_bisphosphate__C6H10O12P2
charge: -4
- id: m_fdxo_2_2_c
name: ferredoxin_oxidixed_form__2Fe_2S_type__Fe2S2X
charge: 2
- id: m_fdxr_2_2_c
name: ferredoxin_reduced_form__2Fe_2S_type__Fe2S2X
charge: 1
- id: m_fe2_c
name: Fe2+__Fe
charge: 2
- id: m_fe2_e
name: Fe2__Fe
charge: 2
- id: m_fe3_c
name: Fe3+__Fe
charge: 3
- id: m_fe3_e
name: Fe3__Fe
charge: 3
- id: m_fgam_c
name: N2_Formyl_N1_5_phospho_D_ribosylglycinamide__C8H13N2O9P
charge: -2
- id: m_fmet_c
name: N_Formyl_L_methionine__C6H10NO3S
charge: -1
- id: m_fmettrna_c
name: N_Formylmethionyl_tRNA__C6H11NO3SX
charge: 1
- id: m_fmn_c
name: Flavin_mononucleotide__C17H19N4O9P
charge: -2
- id: m_for_e
name: Formate__C17H19N4O9P
charge: -1
- id: m_formate_c
name: Formate__CH1O2
charge: -1
- id: m_fpram_c
name: 2_Formamido_N1_5_phospho_D_ribosylacetamidine__C8H14N3O8P
charge: -2
- id: m_fprica_c
name: 5_Formamido_1_5_phospho_D_ribosylimidazole_4_carboxamide__C10H13N4O9P
charge: -2
- id: m_frdp_c
name: Farnesyl_diphosphate__C15H25O7P2
charge: -3
- id: m_fru_c
name: D_Fructose__C6H12O6
charge: 0
- id: m_fum_c
name: Fumarate__C4H2O4
charge: -2
- id: m_g1p_c
name: D_Glucose_1_phosphate__C6H11O9P
charge: -2
- id: m_g3p_c
name: Glyceraldehyde_3_phosphate__C3H5O6P
charge: -2
- id: m_g6p_c
name: D_Glucose_6_phosphate__C6H11O9P
charge: -2
- id: m_gal1p_c
name: alpha_D_Galactose_1_phosphate__C6H11O9P
charge: -2
- id: m_gal_c
name: D_Galactose__C6H12O6
charge: 0
- id: m_gal_e
name: D_Galactose__C6H12O6
charge: 0
- id: m_gam1p_c
name: D_Glucosamine_1_phosphate__C6H13NO8P
charge: -1
- id: m_gam6p_c
name: D_Glucosamine_6_phosphate__C6H13NO8P
charge: -1
- id: m_gar_c
name: N1_5_Phospho_D_ribosylglycinamide__C7H14N2O8P
charge: -1
- id: m_gcald_c
name: Glycolaldehyde__C2H4O2
charge: 0
- id: m_gdp_c
name: GDP__C10H12N5O11P2
charge: -3
- id: m_gdpddm_c
name: GDP_4_dehydro_6_deoxy_D_mannose__C16H21N5O15P2
charge: -2
- id: m_gdpdp_c
name: Guanosine_3_5_bisdiphosphate__C10H11N5O17P4
charge: -6
- id: m_gdpfuc_c
name: GDP_L_fucose__C16H23N5O15P2
charge: -2
- id: m_gdpman_c
name: GDP_D_mannose__C16H23N5O16P2
charge: -2
- id: m_gdptp_c
name: Guanosine_3_diphosphate_5_triphosphate__C10H11N5O20P5
charge: -7
- id: m_ggdp_c
name: Geranylgeranyl_diphosphate__C20H33O7P2
charge: -3
- id: m_glc_d_c
name: D_Glucose__C6H12O6
charge: 0
- id: m_glcdg_cn_c
name: Monoglucosyldiacylglycerol_Cyanothece__C2124H3814O500
charge: 0
- id: m_glcn_d_c
name: D_Gluconate__C6H11O7
charge: -1
- id: m_gln_l_c
name: L_Glutamine__C5H10N2O3
charge: 0
- id: m_gln_l_e
name: L_Glutamine__C5H10N2O3
charge: 0
- id: m_glntrna_c
name: L_Glutaminyl_tRNAGln__C5H10N2O3X
charge: 1
- id: m_glu1sa_c
name: L_Glutamate_1_semialdehyde__C5H9NO3
charge: 0
- id: m_glu5p_c
name: L_Glutamate_5_phosphate__C5H8NO7P
charge: -2
- id: m_glu5sa_c
name: L_Glutamate_5_semialdehyde__C5H9NO3
charge: 0
- id: m_glu_d_c
name: D_Glutamate__C5H8NO4
charge: -1
- id: m_glu_d_e
name: D_Glutamate__C5H8NO4
charge: -1
- id: m_glu_l_c
name: L_Glutamate__C5H8NO4
charge: -1
- id: m_glu_l_e
name: L_Glutamate__C5H8NO4
charge: -1
- id: m_gluala_c
name: 5_L_Glutamyl_L_amino_acid__C8H13N2O5
charge: -1
- id: m_glucys_c
name: gamma_L_Glutamyl_L_cysteine__C8H13N2O5S
charge: -1
- id: m_glutrna_c
name: L_Glutamyl_tRNAGlu__C5H8NO4X
charge: 0
- id: m_glutrna_gln_c
name: L_Glutamyl_tRNAGln__C5H8NO4X
charge: 0
- id: m_glx_c
name: Glyoxylate__C2H1O3
charge: -1
- id: m_gly_c
name: Glycine__C2H5NO2
charge: 0
- id: m_gly_e
name: Glycine__C2H5NO2
charge: 0
- id: m_glyald_c
name: D_Glyceraldehyde__C3H6O3
charge: 0
- id: m_glyc3p_c