Chemical Components in the PDB

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PYR : Summary

Code

PYR

One-letter code

X

Molecule name

PYRUVIC ACID

Systematic names

ProgramVersionName
ACDLabs 12.01 2-oxopropanoic acid
OpenEye OEToolkits 1.7.6 2-oxidanylidenepropanoic acid

Formula

C3 H4 O3

Formal charge

0

Molecular weight

88.062 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(C(=O)O)C
SMILES CACTVS 3.385 CC(=O)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 CC(=O)C(=O)O
Canonical SMILES CACTVS 3.385 CC(=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 CC(=O)C(=O)O

IUPAC InChI

InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)

IUPAC InChI key

LCTONWCANYUPML-UHFFFAOYSA-N
PYR

wwPDB Information

Atom count

10 (6 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

2017-11-15

Status

Released

Obsoleted

Not Assigned