Glutaconic acid

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Systematic / IUPAC Name: (2E)-2-Pentenedioic acid

ID: Reference1490

Other Names: 1,3-Propenedicarboxylate;
1,3-Propenedicarboxylic acid;
1-Propene-1,3-dicarboxylate;
1-Propene-1,3-dicarboxylic acid;
trans-Glutaconic acid ; more

Formula: C5H6O4

Class: Endogenous Metabolites

Spectral Data

Glutaconic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 47
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/3/2014 9:59:41 AM
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Identificators

InChI InChI=1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)/b2-1+
InChI Key XVOUMQNXTGKGMA-OWOJBTEDSA-N
Canonical SMILES C(C=CC(=O)O)C(=O)O
CAS 1724023
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Other Names 1,3-Propenedicarboxylate;
1,3-Propenedicarboxylic acid;
1-Propene-1,3-dicarboxylate;
1-Propene-1,3-dicarboxylic acid;
trans-Glutaconic acid;
Pent-2-enedioic acid;
trans-Glutaconate;
(E)-Glutaconate;
(E)-Glutaconic acid;
Pent-2-ene-1,5-dioic acid;
2-Pentenedioic acid, (2E)-

In Other Databases

ChemIDPlus 001724023
Wikipedia Glutaconic acid
ChEMBL CHEMBL557347
ChemSpider 4444138
HMDb HMDB00620
PubChem 5280498
KEGG C02214
ChEBI CHEBI:15670