Chemical Components in the PDB

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HPV : Summary

Code

HPV

One-letter code

X

Molecule name

2-oxo-3-(phosphonooxy)propanoic acid

Synonyms

Hydroxypyruvic acid phosphate

Systematic names

ProgramVersionName
ACDLabs 10.04 2-oxo-3-(phosphonooxy)propanoic acid
OpenEye OEToolkits 1.5.0 2-oxo-3-phosphonooxy-propanoic acid

Formula

C3 H5 O7 P

Formal charge

0

Molecular weight

184.041 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(O)(O)OCC(=O)C(=O)O
SMILES CACTVS 3.341 OC(=O)C(=O)CO[P](O)(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(C(=O)C(=O)O)OP(=O)(O)O
Canonical SMILES CACTVS 3.341 OC(=O)C(=O)CO[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C(C(=O)C(=O)O)OP(=O)(O)O

IUPAC InChI

InChI=1S/C3H5O7P/c4-2(3(5)6)1-10-11(7,8)9/h1H2,(H,5,6)(H2,7,8,9)

IUPAC InChI key

LFLUCDOSQPJJBE-UHFFFAOYSA-N
HPV

wwPDB Information

Atom count

16 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2008-06-09

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned