cytosyl-4'-dehydro-beta-D-glucuronate

Properties Image MNX_ID MNXM148179 reference metacycM:CPD-17161 formula C10H10N3O7 global charge -1 mol weight 284.204 InChIKey MVILQFUTTMAQGD-VXUIKNBNSA-M InChI InChI=1S/C10H11N3O7/c11-3-1-2-13(10(19)12-3)8-6(16)4(14)5(15)7(20-8)9(17)18/h1-2,4,6-8,14,16H,(H,17,18)(H2,11,12,19)/p-1/t4-,6+,7-,8+/m0/s1 SMILES NC1=NC(=O)N([C@@H]2O[C@H](C(=O)[O-])C(=O)[C@H](O)[C@H]2O)C=C1 MNX internals InChI (mnx) InChI=1/C10H11N3O7/c11-3-1-2-13(10(19)12-3)8-6(16)4(14)5(15)7(20-8)9(17)18/h1-2,4,6-8,14,16H,(H,17,18)(H2,11,12,19)/t4-,6+,7-,8+/m0/s1 SMILES (mnx) [CH:1]1=[CH:2][N:13]([C@H:8]2[C@H:6]([OH:16])[C@@H:4]([OH:14])[C:5](=[O:15])[C@@H:7]([C:9](=[O:17])[OH:18])[O:20]2)[C:10]([OH:19])=[N:12][C:3]1=[NH:11]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0