trans,trans-Muconic acid

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Systematic / IUPAC Name: (2E,4E)-Hexa-2,4-dienedioic acid

ID: Reference2543

Other Names: Muconic acid;
(E,E)-Muconic acid;
2,4-Hexadienedioic acid;
trans,trans-2,4-Hexadienedioic acid;
Hexa-2,4-dienedioic acid ; more

Formula: C6H6O4

Class: Endogenous Metabolites Textile Chemicals/Auxiliary/Dyes

Spectral Data

trans,trans-Muconic 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 Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 90
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/31/2015 9:08:36 AM
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Identificators

InChI InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1+,4-2+
InChI Key TXXHDPDFNKHHGW-ZPUQHVIOSA-N
Canonical SMILES C(=CC(=O)O)C=CC(=O)O
CAS 3588178
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Other Names Muconic acid;
(E,E)-Muconic acid;
2,4-Hexadienedioic acid;
trans,trans-2,4-Hexadienedioic acid;
Hexa-2,4-dienedioic acid;
1,3-Butadiene-1,4-dicarboxylic acid;
(E,E)-2,4-Hexadienedioic acid;
(2E,4E)-2,4-Hexadienedioic acid;
2,4-Hexadienedioic acid, (E,E)-;
trans,trans-Buta-1,3-diene-1,4-dicarboxylic acid;
trans,trans-1,3-Butadiene-1,4-dicarboxylic acid;
trans-Muconic acid;
(2E,4E)Hexa-2,4-dienedioic acid;
(E,E)-2,4-Hexadienedioate;
Muconic acid, trans,trans-;
Butadiene-1,4-dicarboxylic acid;
1,3-Butadiene-1,4-dicarboxylate

In Other Databases

ChemIDPlus 000505704; 003588178
ChemSpider 4512358
ChEMBL CHEMBL1922185
PubChem 5356793
Wikipedia Muconic_acid
ChEBI CHEBI:27036
HMDb HMDB02349