48X

3-(phosphonooxy)propanoic acid

Created:	2015-02-14
Last modified:	2015-07-15

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1 entries where 48X is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	16
Aromatic Bond Count	0

2D diagram of 48X

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Chemical Component Summary
Name	3-(phosphonooxy)propanoic acid
Systematic Name (OpenEye OEToolkits)	3-phosphonooxypropanoic acid
Formula	C₃ H₇ O₆ P
Molecular Weight	170.058
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=P(OCCC(=O)O)(O)O
SMILES	CACTVS	3.385	OC(=O)CCO[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.9.2	C(COP(=O)(O)O)C(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)CCO[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.9.2	C(COP(=O)(O)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C3H7O6P/c4-3(5)1-2-9-10(6,7)8/h1-2H2,(H,4,5)(H2,6,7,8)
InChIKey	InChI	1.03	QMMAAPSPIPKBBV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	18763758

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.