Aluminoparaaminosalicylate calcium hydrate (JAN)

Properties Image MNX_ID MNXM152155 reference keggD:D01643 formula C14H23AlCaN2O13 global charge 0 mol weight 494.399 InChIKey QUPHRGMYLPQZLO-UHFFFAOYSA-I InChI InChI=1S/2C7H7NO3.Al.Ca.7H2O/c2*8-4-1-2-5(7(10)11)6(9)3-4;;;;;;;;;/h2*1-3,9H,8H2,(H,10,11);;;7*1H2/q;;+3;+2;;;;;;;/p-5 SMILES NC1=CC([O-])=C(C(=O)[O-])C=C1.NC1=CC=C(C(=O)[O-])C([O-])=C1.O.O.O.O.O.O.[Al+3].[Ca+2].[OH-] MNX internals InChI (mnx) InChI=1/2C7H7NO3.Al.Ca.7H2O/c2*8-4-1-2-5(7(10)11)6(9)3-4;;;;;;;;;/h2*1-3,9H,8H2,(H,10,11);;;7*1H2/q;;+3;+2;;;;;;; SMILES (mnx) [Al+3:23].[CH:12]1=[CH:13][C:16]([C:18](=[O:21])[OH:22])=[C:17]([OH:20])[CH:14]=[C:15]1[NH2:19].[CH:1]1=[CH:2][C:5]([C:7](=[O:10])[OH:11])=[C:6]([OH:9])[CH:3]=[C:4]1[NH2:8].[Ca+2:24].[OH2:25].[OH2:26].[OH2:27].[OH2:28].[OH2:29].[OH2:30].[OH2:31]

Parent-child relations graph

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