Pyridoxal calcium phosphate (JAN)

Properties Image MNX_ID MNXM160684 reference keggD:D03281 formula C8H14CaNO9P global charge 0 mol weight 339.25 InChIKey NBNPMJXEMGRWNF-UHFFFAOYSA-L InChI InChI=1S/C8H10NO6P.Ca.3H2O/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14;;;;/h2-3,11H,4H2,1H3,(H2,12,13,14);;3*1H2/q;+2;;;/p-2 SMILES CC1=C(O)C(C=O)=C(COP(=O)([O-])[O-])C=N1.O.O.O.[Ca+2] MNX internals InChI (mnx) InChI=1/C8H10NO6P.Ca.3H2O/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14;;;;/h2-3,11H,4H2,1H3,(H2,12,13,14);;3*1H2/q;+2;;; SMILES (mnx) [CH3:1][C:5]1=[N:9][CH:2]=[C:6]([CH2:4][O:15][P:16]([OH:12])([OH:13])=[O:14])[C:7]([CH:3]=[O:10])=[C:8]1[OH:11].[Ca+2:17].[OH2:18].[OH2:19].[OH2:20]

Parent-child relations graph

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