validoxylamine A 7'-phosphate

Properties Image MNX_ID MNXM162438 reference chebi:111504 formula C14H25NO11P global charge -1 mol weight 414.324 InChIKey ZKSTYMJGEHZSFH-MBABXGOBSA-M InChI InChI=1S/C14H26NO11P/c16-3-5-1-7(11(19)13(21)9(5)17)15-8-2-6(4-26-27(23,24)25)10(18)14(22)12(8)20/h1,6-22H,2-4H2,(H2,23,24,25)/p-1/t6-,7+,8+,9-,10-,11+,12+,13+,14+/m1/s1 SMILES O=P([O-])([O-])OC[C@H]1C[C@H]([NH2+][C@H]2C=C(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C14H26NO11P/c16-3-5-1-7(11(19)13(21)9(5)17)15-8-2-6(4-26-27(23,24)25)10(18)14(22)12(8)20/h1,6-22H,2-4H2,(H2,23,24,25)/t6-,7+,8+,9-,10-,11+,12+,13+,14+/m1/s1 SMILES (mnx) [CH:1]1=[C:5]([CH2:3][OH:16])[C@@H:9]([OH:17])[C@H:13]([OH:21])[C@@H:11]([OH:19])[C@H:7]1[NH:15][C@H:8]1[CH2:2][C@H:6]([CH2:4][O:26][P:27]([OH:23])([OH:24])=[O:25])[C@@H:10]([OH:18])[C@H:14]([OH:22])[C@H:12]1[OH:20]

Parent-child relations graph

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