G9A

(2E)-pent-2-enedioic acid

Created:	2014-08-12
Last modified:	2021-03-01

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1 entries where G9A is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	15
Chiral Atom Count	0
Bond Count	14
Aromatic Bond Count	0

2D diagram of G9A

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Chemical Component Summary
Name	(2E)-pent-2-enedioic acid
Synonyms	Glutaconic acid
Systematic Name (OpenEye OEToolkits)	(E)-pent-2-enedioic acid
Formula	C₅ H₆ O₄
Molecular Weight	130.099
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)\C=C\CC(=O)O
SMILES	CACTVS	3.385	OC(=O)CC=CC(O)=O
SMILES	OpenEye OEToolkits	1.7.6	C(C=CC(=O)O)C(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)C/C=C/C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C(/C=C/C(=O)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)/b2-1+
InChIKey	InChI	1.03	XVOUMQNXTGKGMA-OWOJBTEDSA-N

Related Resource References

Resource Name	Reference
PubChem	5280498
ChEMBL	CHEMBL557347
ChEBI	CHEBI:24309, CHEBI:15670
CCDC/CSD	KAXRIM, VAPBIY, QIMJAX
COD	2011938

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.