Chemical Components in the PDB

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AKG : Summary

Code

AKG

One-letter code

X

Molecule name

2-OXOGLUTARIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 2-oxopentanedioic acid
OpenEye OEToolkits 1.7.6 2-oxidanylidenepentanedioic acid

Formula

C5 H6 O5

Formal charge

0

Molecular weight

146.098 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(=O)CCC(=O)O
SMILES CACTVS 3.385 OC(=O)CCC(=O)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 C(CC(=O)O)C(=O)C(=O)O
Canonical SMILES CACTVS 3.385 OC(=O)CCC(=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 C(CC(=O)O)C(=O)C(=O)O

IUPAC InChI

InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)

IUPAC InChI key

KPGXRSRHYNQIFN-UHFFFAOYSA-N
AKG

wwPDB Information

Atom count

16 (10 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

2017-01-17

Status

Released

Obsoleted

Not Assigned