Chemical Components in the PDB

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6GT : Summary

Code

6GT

One-letter code

X

Molecule name

2-oxoheptanedioic acid

Synonyms

2-Ketopimelic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 2-oxoheptanedioic acid
OpenEye OEToolkits 2.0.4 2-oxidanylideneheptanedioic acid

Formula

C7 H10 O5

Formal charge

0

Molecular weight

174.151 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(CCCCC(C(=O)O)=O)O
SMILES CACTVS 3.385 OC(=O)CCCCC(=O)C(O)=O
SMILES OpenEye OEToolkits 2.0.4 C(CCC(=O)O)CC(=O)C(=O)O
Canonical SMILES CACTVS 3.385 OC(=O)CCCCC(=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.4 C(CCC(=O)O)CC(=O)C(=O)O

IUPAC InChI

InChI=1S/C7H10O5/c8-5(7(11)12)3-1-2-4-6(9)10/h1-4H2,(H,9,10)(H,11,12)

IUPAC InChI key

HABHUTWTLGRDDU-UHFFFAOYSA-N
6GT

wwPDB Information

Atom count

22 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-04-07

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned