PM9

(2E)-2-{[(Z)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4(1H)-YLIDENE}METHYL]IMINO}-4-(METHYLSULFANYL)BUTANOIC ACID


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Chemical Component Summary

Name(2E)-2-{[(Z)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4(1H)-YLIDENE}METHYL]IMINO}-4-(METHYLSULFANYL)BUTANOIC ACID
Identifiers(2E)-2-[(Z)-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-1H-pyridin-4-ylidene]methyl]imino-4-methylsulfanyl-butanoic acid
FormulaC13 H19 N2 O7 P S
Molecular Weight378.338
TypeNON-POLYMER
Isomeric SMILESCC1=C(/C(=C\N=C(/CCSC)\C(=O)O)/C(=CN1)COP(=O)(O)O)O
InChIInChI=1S/C13H19N2O7PS/c1-8-12(16)10(6-15-11(13(17)18)3-4-24-2)9(5-14-8)7-22-23(19,20)21/h5-6,14,16H,3-4,7H2,1-2H3,(H,17,18)(H2,19,20,21)/b10-6-,15-11+
InChIKeyUNHRYMFMFMQCNK-JNVWRRHBSA-N

Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count0
Bond Count43
Aromatic Bond Count0