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CHEBI:36192 - 2-hexenedioic acid

Default Structure
ChEBI IDCHEBI:36192
ChEBI Name2-hexenedioic acid
Stars
DefinitionA hexenedioic acid where the C=C double bond is located at the 2-position.
Last Modified15 November 2012
DownloadsMolfile
FormulaC6H8O4
Net Charge0
Average Mass144.126
Monoisotopic Mass144.04226
SMILES[H]C(=CC(=O)O)CCC(=O)O
InChIInChI=1S/C6H8O4/c7-5(8)3-1-2-4-6(9)10/h1,3H,2,4H2,(H,7,8)(H,9,10)
InChIKeyHSBSUGYTMJWPAX-UHFFFAOYSA-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)
2-hexenedioic acid (CHEBI:36192) is a hexenedioic acid (CHEBI:25789)
2-hexenedioic acid (CHEBI:36192) is conjugate acid of hex-2-enedioate (CHEBI:25781)
Incoming Relation(s)
(Z)-2,3-dehydroadipoyl-CoA (CHEBI:68471) has functional parent 2-hexenedioic acid (CHEBI:36192)
(Z)-5-oxohex-2-enedioic acid (CHEBI:32808) has functional parent 2-hexenedioic acid (CHEBI:36192)
2,3-didehydroadipoyl-CoA (CHEBI:71163) has functional parent 2-hexenedioic acid (CHEBI:36192)
2,3,5-trichloromaleylacetic acid (CHEBI:19297) has functional parent 2-hexenedioic acid (CHEBI:36192)
4-oxohex-2-enedioic acid (CHEBI:19672) has functional parent 2-hexenedioic acid (CHEBI:36192)
trans-2-hexenedioic acid (CHEBI:49296) is a 2-hexenedioic acid (CHEBI:36192)
hex-2-enedioate (CHEBI:25781) is conjugate base of 2-hexenedioic acid (CHEBI:36192)
IUPAC Name 
hex-2-enedioic acid
Registry NumbersSources
Reaxys:1722916Reaxys