Chemical Components in the PDB

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3PY : Summary

Code

3PY

One-letter code

X

Molecule name

3-HYDROXYPYRUVIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 3-hydroxy-2-oxopropanoic acid
OpenEye OEToolkits 1.5.0 3-hydroxy-2-oxo-propanoic acid

Formula

C3 H4 O4

Formal charge

0

Molecular weight

104.061 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(=O)CO
SMILES CACTVS 3.341 OCC(=O)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(C(=O)C(=O)O)O
Canonical SMILES CACTVS 3.341 OCC(=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C(C(=O)C(=O)O)O

IUPAC InChI

InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h4H,1H2,(H,6,7)

IUPAC InChI key

HHDDCCUIIUWNGJ-UHFFFAOYSA-N
3PY

wwPDB Information

Atom count

11 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned