P0P

[4-(DIHYDROXYMETHYL)-5-HYDROXY-6-METHYLPYRIDIN-3-YL]METHYL DIHYDROGEN PHOSPHATE

Created:	2006-04-14
Last modified:	2011-06-04

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1 entries where P0P is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	6

2D diagram of P0P

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Chemical Component Summary
Name	[4-(DIHYDROXYMETHYL)-5-HYDROXY-6-METHYLPYRIDIN-3-YL]METHYL DIHYDROGEN PHOSPHATE
Systematic Name (OpenEye OEToolkits)	[4-(dihydroxymethyl)-5-hydroxy-6-methyl-pyridin-3-yl]methyl dihydrogen phosphate
Formula	C₈ H₁₂ N O₇ P
Molecular Weight	265.157
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)OCc1cnc(c(O)c1C(O)O)C
SMILES	CACTVS	3.341	Cc1ncc(CO[P](O)(O)=O)c(C(O)O)c1O
SMILES	OpenEye OEToolkits	1.5.0	Cc1c(c(c(cn1)COP(=O)(O)O)C(O)O)O
Canonical SMILES	CACTVS	3.341	Cc1ncc(CO[P](O)(O)=O)c(C(O)O)c1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1c(c(c(cn1)COP(=O)(O)O)C(O)O)O
InChI	InChI	1.03	InChI=1S/C8H12NO7P/c1-4-7(10)6(8(11)12)5(2-9-4)3-16-17(13,14)15/h2,8,10-12H,3H2,1H3,(H2,13,14,15)
InChIKey	InChI	1.03	WNSLUVKENIMLGR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	10062747

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.