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CHEBI:15749 - 3-carboxy-cis,cis-muconic acid

Default Structure
ChEBI IDCHEBI:15749
ChEBI Name3-carboxy-cis,cis-muconic acid
Stars
ASCII Name3-carboxy-cis,cis-muconic acid
DefinitionThe 3-carboxy derivative of cis,cis-muconic acid.
Secondary ChEBI IDsCHEBI:1468, CHEBI:11766, CHEBI:11767, CHEBI:12801, CHEBI:19976
Last Modified10 January 2019
DownloadsMolfile
FormulaC7H6O6
Net Charge0
Average Mass186.119
Monoisotopic Mass186.01644
SMILESO=C(O)/C=C\C(=C/C(=O)O)C(=O)O
InChIInChI=1S/C7H6O6/c8-5(9)2-1-4(7(12)13)3-6(10)11/h1-3H,(H,8,9)(H,10,11)(H,12,13)/b2-1-,4-3+
InChIKeyKJOVGYUGXHIVAY-BXTBVDPRSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-carboxy-cis,cis-muconic acid (CHEBI:15749) is a tricarboxylic acid (CHEBI:27093)
3-carboxy-cis,cis-muconic acid (CHEBI:15749) is conjugate acid of 3-carboxy-cis,cis-muconate(3−) (CHEBI:57496)
Incoming Relation(s)
3-carboxy-cis,cis-muconate(3−) (CHEBI:57496) is conjugate base of 3-carboxy-cis,cis-muconic acid (CHEBI:15749)
IUPAC Name 
(1E,3Z)-buta-1,3-diene-1,2,4-tricarboxylic acid
Synonyms  Source
3-carboxy-cis,cis-muconateChEBI
3-Carboxy-cis,cis-muconateKEGG COMPOUND
beta-carboxy-cis,cis-muconateChEBI
beta-Carboxy-cis,cis-muconateKEGG COMPOUND
cis,cis-butadiene-1,2,4-tricarboxylateChEBI
cis,cis-Butadiene-1,2,4-tricarboxylateKEGG COMPOUND
Manual XrefsDatabases
C00007499KNApSAcK
C01163KEGG COMPOUND
C01163KEGG COMPOUND
c0191UM-BBD
Registry NumbersSources
CAS:1116-26-3KEGG COMPOUND