EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:78850 - (2E,7R)-7-hydroxyoct-2-enoic acid

ChEBI IDCHEBI:78850
ChEBI Name(2E,7R)-7-hydroxyoct-2-enoic acid
Stars
ASCII Name(2E,7R)-7-hydroxyoct-2-enoic acid
DefinitionAn (ω−1)-hydroxy fatty acid that is (2E)-oct-2-enoic acid in which the hydrogen at the 7-pro-R position is replaced by a hydroxy group.
Last Modified9 June 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC8H14O3
Net Charge0
Average Mass158.197
Monoisotopic Mass158.09429
SMILESC[C@@H](O)CCC/C=C/C(=O)O
InChIInChI=1S/C8H14O3/c1-7(9)5-3-2-4-6-8(10)11/h4,6-7,9H,2-3,5H2,1H3,(H,10,11)/b6-4+/t7-/m1/s1
InChIKeyTWDBRKLFYIPUTJ-PTYLAXBQSA-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)
(2E,7R)-7-hydroxyoct-2-enoic acid (CHEBI:78850) is a (ω−1)-hydroxy fatty acid (CHEBI:78954)
(2E,7R)-7-hydroxyoct-2-enoic acid (CHEBI:78850) is a hydroxy monounsaturated fatty acid (CHEBI:131869)
(2E,7R)-7-hydroxyoct-2-enoic acid (CHEBI:78850) is a medium-chain fatty acid (CHEBI:59554)
(2E,7R)-7-hydroxyoct-2-enoic acid (CHEBI:78850) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
Incoming Relation(s)
ascr#13 (CHEBI:78851) has functional parent (2E,7R)-7-hydroxyoct-2-enoic acid (CHEBI:78850)