EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:28998 - trans-2-oxohex-4-enoic acid

ChEBI IDCHEBI:28998
ChEBI Nametrans-2-oxohex-4-enoic acid
Stars
ASCII Nametrans-2-oxohex-4-enoic acid
Secondary ChEBI IDCHEBI:1255
Last Modified28 July 2014
DownloadsMolfile
FormulaC6H8O3
Net Charge0
Average Mass128.127
Monoisotopic Mass128.04734
SMILESC/C=C/CC(=O)C(=O)O
InChIInChI=1S/C6H8O3/c1-2-3-4-5(7)6(8)9/h2-3H,4H2,1H3,(H,8,9)/b3-2+
InChIKeyXGNKMQBCAVIQOR-NSCUHMNNSA-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)
trans-2-oxohex-4-enoic acid (CHEBI:28998) has functional parent trans-hex-4-enoic acid (CHEBI:38356)
trans-2-oxohex-4-enoic acid (CHEBI:28998) is a 2-oxohex-4-enoic acid (CHEBI:38353)
trans-2-oxohex-4-enoic acid (CHEBI:28998) is conjugate acid of trans-2-oxohex-4-enoate (CHEBI:19751)
Incoming Relation(s)
trans-2-oxohex-4-enoate (CHEBI:19751) is conjugate base of trans-2-oxohex-4-enoic acid (CHEBI:28998)
IUPAC Name 
(4E)-2-oxohex-4-enoic acid
Synonyms  Source
2-Oxohex-trans-4-enoateKEGG COMPOUND
(4E)-2-Oxohexenoic acidKEGG COMPOUND
2-Oxohex-trans-4-enoateKEGG COMPOUND
Manual XrefsDatabases
C06761KEGG COMPOUND
LMFA01060174LIPID MAPS