Chemical Components in the PDB

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OOG : Summary

Code

OOG

One-letter code

X

Molecule name

2-OXOADIPIC ACID

Systematic names

ProgramVersionName
ACDLabs 12.01 2-oxohexanedioic acid
OpenEye OEToolkits 1.7.6 2-oxidanylidenehexanedioic acid

Formula

C6 H8 O5

Formal charge

0

Molecular weight

160.125 Da

SMILES

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

IUPAC InChI

InChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11)

IUPAC InChI key

FGSBNBBHOZHUBO-UHFFFAOYSA-N
OOG

wwPDB Information

Atom count

19 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-01-21

Last modified at

2015-01-23

Status

Released

Obsoleted

Not Assigned