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CHEBI:78979 - (2E,12R)-12-hydroxytridec-2-enoic acid

ChEBI IDCHEBI:78979
ChEBI Name(2E,12R)-12-hydroxytridec-2-enoic acid
Stars
ASCII Name(2E,12R)-12-hydroxytridec-2-enoic acid
DefinitionAn (ω−1)-hydroxy fatty acid that is (2E)-tridec-2-enoic acid in which the 12-pro-R hydrogen is replaced by a hydroxy group.
Last Modified9 June 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC13H24O3
Net Charge0
Average Mass228.332
Monoisotopic Mass228.17254
SMILESC[C@@H](O)CCCCCCCC/C=C/C(=O)O
InChIInChI=1S/C13H24O3/c1-12(14)10-8-6-4-2-3-5-7-9-11-13(15)16/h9,11-12,14H,2-8,10H2,1H3,(H,15,16)/b11-9+/t12-/m1/s1
InChIKeyQQMDRBATPLAFPG-LMMOQWNQSA-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,12R)-12-hydroxytridec-2-enoic acid (CHEBI:78979) is a (ω−1)-hydroxy fatty acid (CHEBI:78954)
(2E,12R)-12-hydroxytridec-2-enoic acid (CHEBI:78979) is a hydroxy monounsaturated fatty acid (CHEBI:131869)
(2E,12R)-12-hydroxytridec-2-enoic acid (CHEBI:78979) is a medium-chain fatty acid (CHEBI:59554)
(2E,12R)-12-hydroxytridec-2-enoic acid (CHEBI:78979) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
Incoming Relation(s)
ascr#21 (CHEBI:78959) has functional parent (2E,12R)-12-hydroxytridec-2-enoic acid (CHEBI:78979)
icas#21 (CHEBI:79107) has functional parent (2E,12R)-12-hydroxytridec-2-enoic acid (CHEBI:78979)
IUPAC Name 
(2E,12R)-12-hydroxytridec-2-enoic acid