CHEBI:79118 - icos#15

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ChEBI Name icos#15
ChEBI ID CHEBI:79118
Definition A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from (2E)-10-hydroxydec-2-enoic 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 C25H33NO7
Net Charge 0
Average Mass 459.53200
Monoisotopic Mass 459.22570
InChI InChI=1S/C25H33NO7/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/h7-9,11-13,16-17,21-22,25-27H,2-6,10,14-15H2,1H3,(H,28,29)/b13-7+/t17-,21+,22+,25+/m0/s1
InChIKey SCZSSSOEHFCMKR-ONIXZVGUSA-N
SMILES C[C@@H]1O[C@@H](OCCCCCCC\C=C\C(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) 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#15 (CHEBI:79118) has functional parent (E)-10-hydroxydec-2-enoic acid (CHEBI:78668)
icos#15 (CHEBI:79118) has functional parent oscr#15 (CHEBI:79137)
icos#15 (CHEBI:79118) has role Caenorhabditis elegans metabolite (CHEBI:78804)
icos#15 (CHEBI:79118) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
icos#15 (CHEBI:79118) is a ω-hydroxy fatty acid ascaroside (CHEBI:79204)
icos#15 (CHEBI:79118) is a 4-O-(1H-indol-3-ylcarbonyl)ascaroside (CHEBI:79024)
IUPAC Name
(2E)-10-{[3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-α-L-arabino-hexopyranosyl]oxy}dec-2-enoic acid
Synonym Source
10-(3'R-hydroxy-5'R-O-(1H-indol-3-ylcarbonyl)-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-2E-decenoic acid SMID
Manual Xref Database
icos%2315%0D SMID
View more database links
Registry Numbers Types Sources
1355683-13-4 CAS Registry Number SMID
22233472 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22239548 PubMed citation Europe PMC
Last Modified
25 July 2014