alpha-D-ribose-1-[N-(phosphonomethyl)glycine] 5-phosphate

Properties Image MNX_ID MNXM164515 reference metacycM:CPD-19239 formula C8H13NO12P2 global charge -4 mol weight 377.135 InChIKey QNFDONCAERINNR-XVFCMESISA-J InChI InChI=1S/C8H17NO12P2/c10-5(11)1-9-3-22(14,15)21-8-7(13)6(12)4(20-8)2-19-23(16,17)18/h4,6-9,12-13H,1-3H2,(H,10,11)(H,14,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1 SMILES O=C([O-])CNCP(=O)([O-])O[C@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C8H17NO12P2/c10-5(11)1-9-3-22(14,15)21-8-7(13)6(12)4(20-8)2-19-23(16,17)18/h4,6-9,12-13H,1-3H2,(H,10,11)(H,14,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 SMILES (mnx) [CH2:1]([C:5](=[O:10])[OH:11])[NH:9][CH2:3][P:22]([OH:14])(=[O:15])[O:21][C@@H:8]1[C@H:7]([OH:13])[C@H:6]([OH:12])[C@@H:4]([CH2:2][O:19][P:23]([OH:16])([OH:17])=[O:18])[O:20]1

Parent-child relations graph

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