KET

2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYLENE)-AMINO]-SUCCINIC ACID


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Chemical Component Summary

Name2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYLENE)-AMINO]-SUCCINIC ACID
SynonymsPYRIDOXYLIDENE-ASPARTIC ACID-5-MONOPHOSPHATE
Identifiers2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-1-ium-4-yl]methylideneamino]butanedioic acid
FormulaC12 H16 N2 O9 P
Molecular Weight363.237
TypeNON-POLYMER
Isomeric SMILESCc1c(c(c(c[nH+]1)COP(=O)(O)O)C=NC(CC(=O)O)C(=O)O)O
InChIInChI=1S/C12H15N2O9P/c1-6-11(17)8(4-14-9(12(18)19)2-10(15)16)7(3-13-6)5-23-24(20,21)22/h3-4,9,17H,2,5H2,1H3,(H,15,16)(H,18,19)(H2,20,21,22)/p+1/b14-4+/t9-/m0/s1
InChIKeyOEULMZWKJBFRJF-LPQZUGQSSA-O

Chemical Details

Formal Charge1
Atom Count40
Chiral Atom Count1
Bond Count40
Aromatic Bond Count6