X04

(2-AMINO-4-FORMYL-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE

Created:	2003-10-27
Last modified:	2024-09-27

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	6

2D diagram of X04

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Chemical Component Summary
Name	(2-AMINO-4-FORMYL-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE
Synonyms	6-AMINO-PYRIDOXAL-5'-PHOSPHATE
Systematic Name (OpenEye OEToolkits)	(2-amino-5-hydroxy-4-methanoyl-6-methyl-pyridin-3-yl)methyl dihydrogen phosphate
Formula	C₈ H₁₁ N₂ O₆ P
Molecular Weight	262.157
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=Cc1c(O)c(nc(N)c1COP(=O)(O)O)C
SMILES	CACTVS	3.341	Cc1nc(N)c(CO[P](O)(O)=O)c(C=O)c1O
SMILES	OpenEye OEToolkits	1.5.0	Cc1c(c(c(c(n1)N)COP(=O)(O)O)C=O)O
Canonical SMILES	CACTVS	3.341	Cc1nc(N)c(CO[P](O)(O)=O)c(C=O)c1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1c(c(c(c(n1)N)COP(=O)(O)O)C=O)O
InChI	InChI	1.03	InChI=1S/C8H11N2O6P/c1-4-7(12)5(2-11)6(8(9)10-4)3-16-17(13,14)15/h2,12H,3H2,1H3,(H2,9,10)(H2,13,14,15)
InChIKey	InChI	1.03	XHTUTGLXZYJZRY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	5289575

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