oscr#13 (CHEBI:139971)

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ChEBI Name	oscr#13

ChEBI ID	CHEBI:139971

Definition	An 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Michael Witting

Supplier Information

Download	Molfile XML SDF

Formula

C14H24O6

Net Charge

Average Mass

288.337

Monoisotopic Mass

288.15729

InChI

InChI=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

InChIKey

JAEJLIJYAKFZFG-YZSAPEPWSA-N

SMILES

C[C@@H]1O[C@@H](OCCCCC/C=C/C(O)=O)[C@H](O)C[C@H]1O

Metabolite of Species	Details
Caenorhabditis elegans (NCBI:txid6239)	See: PubMed

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	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. (via hydroxy fatty acid ascaroside )

ChEBI Ontology
Outgoing	oscr#13 (CHEBI:139971) has role Caenorhabditis elegans metabolite (CHEBI:78804) oscr#13 (CHEBI:139971) is a ω-hydroxy fatty acid ascaroside (CHEBI:79204) oscr#13 (CHEBI:139971) is a monocarboxylic acid (CHEBI:25384) oscr#13 (CHEBI:139971) is conjugate acid of oscr#13(1−) (CHEBI:139972)

Incoming	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 Number	Type	Source
23412683	Reaxys Registry Number	Reaxys

Citation	Type	Source
22239548	PubMed citation	Europe PMC

Last Modified

02 March 2018