OCF

3-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxypropanoic acid

Created:	2022-09-04
Last modified:	2022-11-16

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3 entries where OCF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	6

2D diagram of OCF

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Chemical Component Summary
Name	3-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxypropanoic acid
Synonyms	PYRIDOXAMINE-5'-PHOSPHATE linked to 3-aminooxypropionic acid
Systematic Name (OpenEye OEToolkits)	3-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxypropanoic acid
Formula	C₁₁ H₁₅ N₂ O₈ P
Molecular Weight	334.219
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1ncc(CO[P](O)(O)=O)c(C=NOCCC(O)=O)c1O
SMILES	OpenEye OEToolkits	3.1.0.0	Cc1c(c(c(cn1)COP(=O)(O)O)C=NOCCC(=O)O)O
Canonical SMILES	CACTVS	3.385	Cc1ncc(CO[P](O)(O)=O)c(\C=N\OCCC(O)=O)c1O
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/OCCC(=O)O)O
InChI	InChI	1.06	InChI=1S/C11H15N2O8P/c1-7-11(16)9(5-13-20-3-2-10(14)15)8(4-12-7)6-21-22(17,18)19/h4-5,16H,2-3,6H2,1H3,(H,14,15)(H2,17,18,19)/b13-5+
InChIKey	InChI	1.06	WFKOVQOIGDESOJ-WLRTZDKTSA-N

Related Resource References

Resource Name	Reference
PubChem	165430660

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.