CMP-5'-phosphonoformate

Properties Image MNX_ID MNXM6220 reference chebi:91255 formula C10H12N3O12P2 global charge -3 mol weight 428.163 InChIKey UKMKGKZFTWPAOJ-XVFCMESISA-K InChI InChI=1S/C10H15N3O12P2/c11-5-1-2-13(9(16)12-5)8-7(15)6(14)4(24-8)3-23-27(21,22)25-26(19,20)10(17)18/h1-2,4,6-8,14-15H,3H2,(H,17,18)(H,19,20)(H,21,22)(H2,11,12,16)/p-3/t4-,6-,7-,8-/m1/s1 SMILES NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])C(=O)[O-])[C@@H](O)[C@H]2O)C=C1 MNX internals InChI (mnx) InChI=1/C10H15N3O12P2/c11-5-1-2-13(9(16)12-5)8-7(15)6(14)4(24-8)3-23-27(21,22)25-26(19,20)10(17)18/h1-2,4,6-8,14-15H,3H2,(H,17,18)(H,19,20)(H,21,22)(H2,11,12,16)/t4-,6-,7-,8-/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][N:13]([C@H:8]2[C@H:7]([OH:15])[C@H:6]([OH:14])[C@@H:4]([CH2:3][O:23][P:27]([OH:21])(=[O:22])[O:25][P:26]([C:10](=[O:17])[OH:18])([OH:19])=[O:20])[O:24]2)[C:9]([OH:16])=[N:12][C:5]1=[NH:11]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0