CHEBI:79119 - icos#16

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ChEBI Name icos#16
ChEBI ID CHEBI:79119
Definition A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from 10-hydroxydecanoic acid. It is a metabolite of the nematode Caenorhabditis elegans.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C25H35NO7
Net Charge 0
Average Mass 461.54790
Monoisotopic Mass 461.24135
InChI InChI=1S/C25H35NO7/c1-17-22(33-24(30)19-16-26-20-12-9-8-11-18(19)20)15-21(27)25(32-17)31-14-10-6-4-2-3-5-7-13-23(28)29/h8-9,11-12,16-17,21-22,25-27H,2-7,10,13-15H2,1H3,(H,28,29)/t17-,21+,22+,25+/m0/s1
InChIKey FVKMIXWYNVQFGG-DZBFJFRRSA-N
SMILES C[C@@H]1O[C@@H](OCCCCCCCCCC(O)=O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12
Metabolite of Species Details
Caenorhabditis elegans (NCBI:txid6239) Detected in dhs-28(hj8), acox-1(ok2257), and maoc-1(hj13) 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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing icos#16 (CHEBI:79119) has functional parent 10-hydroxycapric acid (CHEBI:17409)
icos#16 (CHEBI:79119) has role Caenorhabditis elegans metabolite (CHEBI:78804)
icos#16 (CHEBI:79119) is a ω-hydroxy fatty acid ascaroside (CHEBI:79204)
icos#16 (CHEBI:79119) is a 4-O-(1H-indol-3-ylcarbonyl)ascaroside (CHEBI:79024)
icos#16 (CHEBI:79119) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name
10-{[3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-α-L-arabino-hexopyranosyl]oxy}decanoic acid
Synonym Source
10-(3'R-hydroxy-5'R-O-(1H-indol-3-ylcarbonyl)-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-decanoic acid SMID
Manual Xref Database
icos%2316%0D SMID
View more database links
Registry Numbers Types Sources
1355683-15-6 CAS Registry Number SMID
22233471 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22239548 PubMed citation Europe PMC
Last Modified
25 July 2014