reduced beta-nicotinamide D-ribonucleotide

Properties Image MNX_ID MNXM7593 reference chebi:90832 formula C11H15N2O8P global charge -2 mol weight 334.221 InChIKey XQHMUSRSLNRVGA-TURQNECASA-L InChI InChI=1S/C11H17N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1,3-4,7-9,11,14-15H,2,5H2,(H2,12,16)(H2,17,18,19)/p-2/t7-,8-,9-,11-/m1/s1 SMILES NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C=CC1 MNX internals InChI (mnx) InChI=1/C11H17N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1,3-4,7-9,11,14-15H,2,5H2,(H2,12,16)(H2,17,18,19)/t7-,8-,9-,11-/m1/s1 SMILES (mnx) [CH:1]1=[CH:3][N:13]([C@H:11]2[C@H:9]([OH:15])[C@H:8]([OH:14])[C@@H:7]([CH2:5][O:20][P:22]([OH:17])([OH:18])=[O:19])[O:21]2)[CH:4]=[C:6]([C:10](=[NH:12])[OH:16])[CH2:2]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 2