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CHEBI:139971 - oscr#13

ChEBI IDCHEBI:139971
ChEBI Nameoscr#13
Stars
DefinitionAn ω-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E)-8-oct-2-enoic acid with ascarylopyranose (the α anomer). It is a metabolite of the nematode Caenorhabditis elegans.
Last Modified2 March 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC14H24O6
Net Charge0
Average Mass288.340
Monoisotopic Mass288.15729
SMILESC[C@@H]1O[C@@H](OCCCCC/C=C/C(=O)O)[C@H](O)C[C@H]1O
InChIInChI=1S/C14H24O6/c1-10-11(15)9-12(16)14(20-10)19-8-6-4-2-3-5-7-13(17)18/h5,7,10-12,14-16H,2-4,6,8-9H2,1H3,(H,17,18)/b7-5+/t10-,11+,12+,14+/m0/s1
InChIKeyJAEJLIJYAKFZFG-YZSAPEPWSA-N
Species of MetaboliteComponentSourceComments
Caenorhabditis elegans (ncbitaxon:6239) - PubMed (22239548)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
Caenorhabditis elegans metabolite  A nematode metabolite produced by Caenorhabditis elegans.
semiochemical  A molecular messenger released by an organism that affects the behaviour within or between species.
ChEBI Ontology
Outgoing Relation(s)
oscr#13 (CHEBI:139971) has role Caenorhabditis elegans metabolite (CHEBI:78804)
oscr#13 (CHEBI:139971) is a monocarboxylic acid (CHEBI:25384)
oscr#13 (CHEBI:139971) is a ω-hydroxy fatty acid ascaroside (CHEBI:79204)
oscr#13 (CHEBI:139971) is conjugate acid of oscr#13(1−) (CHEBI:139972)
Incoming Relation(s)
oscr#13-CoA (CHEBI:139973) has functional parent oscr#13 (CHEBI:139971)
oscr#13(1−) (CHEBI:139972) is conjugate base of oscr#13 (CHEBI:139971)
IUPAC Name 
(2E)-8-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]oct-2-enoic acid
Registry NumbersSources
Reaxys:23412683Reaxys
Citations