oscr#12 (CHEBI:79135)

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ChEBI Name	oscr#12

ChEBI ID	CHEBI:79135

Definition	An ω-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of 6-hydroxyhexanoic 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.

Supplier Information

Download	Molfile XML SDF

Formula

C12H22O6

Net Charge

Average Mass

262.29950

Monoisotopic Mass

262.14164

InChI

InChI=1S/C12H22O6/c1-8-9(13)7-10(14)12(18-8)17-6-4-2-3-5-11(15)16/h8-10,12-14H,2-7H2,1H3,(H,15,16)/t8-,9+,10+,12+/m0/s1

InChIKey

OEQPWGGFCAQFGJ-BTQIBKBOSA-N

SMILES

C[C@@H]1O[C@@H](OCCCCCC(O)=O)[C@H](O)C[C@H]1O

Metabolite of Species	Details
Caenorhabditis elegans (NCBI:txid6239)	Detected in wild type (N2) worms and dhs-28(hj8), maoc-1(hj13), and acox-1(ok2257) mutant worms. 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#12 (CHEBI:79135) has functional parent 6-hydroxyhexanoic acid (CHEBI:17869) oscr#12 (CHEBI:79135) has role Caenorhabditis elegans metabolite (CHEBI:78804) oscr#12 (CHEBI:79135) is a ω-hydroxy fatty acid ascaroside (CHEBI:79204) oscr#12 (CHEBI:79135) is a monocarboxylic acid (CHEBI:25384) oscr#12 (CHEBI:79135) is conjugate acid of oscr#12(1−) (CHEBI:139968)

Incoming	oscr#12-CoA (CHEBI:139969) has functional parent oscr#12 (CHEBI:79135) oscr#12(1−) (CHEBI:139968) is conjugate base of oscr#12 (CHEBI:79135)

IUPAC Name

6-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]hexanoic acid

Synonym	Source
6-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-hexanoic acid	SMID

Citation	Type	Source
22239548	PubMed citation	Europe PMC

Last Modified

15 March 2018