beta-lactose 6'-phosphate

Properties Image MNX_ID MNXM1106814 reference metacycM:CPD-15974 formula C12H21O14P global charge -2 mol weight 420.26 InChIKey ITPHOIFCAFNCLL-DCSYEGIMSA-L InChI InChI=1S/C12H23O14P/c13-1-3-10(7(16)8(17)11(19)24-3)26-12-9(18)6(15)5(14)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/p-2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1 SMILES O=P([O-])([O-])OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C12H23O14P/c13-1-3-10(7(16)8(17)11(19)24-3)26-12-9(18)6(15)5(14)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1 SMILES (mnx) [CH2:1]([C@@H:3]1[C@@H:10]([O:26][C@H:12]2[C@H:9]([OH:18])[C@@H:6]([OH:15])[C@@H:5]([OH:14])[C@@H:4]([CH2:2][O:23][P:27]([OH:20])([OH:21])=[O:22])[O:25]2)[C@H:7]([OH:16])[C@@H:8]([OH:17])[C@H:11]([OH:19])[O:24]1)[OH:13]

Parent-child relations graph

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