PLP

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Summary

Name:PYRIDOXAL-5'-PHOSPHATE
Synonyms:VITAMIN B6 Phosphate
Formula:C8 H10 N O6 P
Formal charge:0
Molecular weight:247.142 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
OpenEye OEToolkits1.5.0(5-hydroxy-4-methanoyl-6-methyl-pyridin-3-yl)methyl dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
SMILES_CANONICALCACTVS3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
SMILESCACTVS3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
SMILESOpenEye OEToolkits1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
InChIInChI1.03InChI=1S/C8H10NO6P/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)
InChIKeyInChI1.03NGVDGCNFYWLIFO-UHFFFAOYSA-N