PDP

PYRIDOXAL-5'-DIPHOSPHATE

Created:1999-07-08
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count31
Chiral Atom Count1
Bond Count31
Aromatic Bond Count6
2D diagram of PDP

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Chemical Component Summary

NamePYRIDOXAL-5'-DIPHOSPHATE
Systematic Name (OpenEye OEToolkits)(5-hydroxy-4-methanoyl-6-methyl-pyridin-3-yl)methyl phosphono hydrogen phosphate
FormulaC8 H11 N O9 P2
Molecular Weight327.122
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(O)(O)OP(=O)(O)OCc1cnc(c(O)c1C=O)C
SMILESCACTVS3.341Cc1ncc(CO[P](O)(=O)O[P](O)(O)=O)c(C=O)c1O
SMILESOpenEye OEToolkits1.5.0Cc1c(c(c(cn1)COP(=O)(O)OP(=O)(O)O)C=O)O
Canonical SMILESCACTVS3.341 Cc1ncc(CO[P@@](O)(=O)O[P](O)(O)=O)c(C=O)c1O
Canonical SMILESOpenEye OEToolkits1.5.0 Cc1c(c(c(cn1)CO[P@](=O)(O)OP(=O)(O)O)C=O)O
InChIInChI1.03 InChI=1S/C8H11NO9P2/c1-5-8(11)7(3-10)6(2-9-5)4-17-20(15,16)18-19(12,13)14/h2-3,11H,4H2,1H3,(H,15,16)(H2,12,13,14)
InChIKeyInChI1.03 BLPOUZDLIYAHLN-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 125696