CHEBI:79105 - icas#18

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ChEBI Name icas#18
ChEBI ID CHEBI:79105
Definition A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from (10R)-10-hydroxyundecanoic 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 C26H37NO7
Net Charge 0
Average Mass 475.57450
Monoisotopic Mass 475.25700
InChI InChI=1S/C26H37NO7/c1-17(11-7-5-3-4-6-8-14-24(29)30)32-26-22(28)15-23(18(2)33-26)34-25(31)20-16-27-21-13-10-9-12-19(20)21/h9-10,12-13,16-18,22-23,26-28H,3-8,11,14-15H2,1-2H3,(H,29,30)/t17-,18+,22-,23-,26-/m1/s1
InChIKey DSMPUNNKYCFRLT-RBYKYKMOSA-N
SMILES C[C@H](CCCCCCCCC(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1c[nH]c2ccccc12
Metabolite of Species Details
Caenorhabditis elegans (NCBI:txid6239) Detected in dhs28(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 icas#18 (CHEBI:79105) has functional parent (10R)-10-hydroxyundecanoic acid (CHEBI:78956)
icas#18 (CHEBI:79105) has functional parent ascr#18 (CHEBI:78955)
icas#18 (CHEBI:79105) has role Caenorhabditis elegans metabolite (CHEBI:78804)
icas#18 (CHEBI:79105) is a (ω−1)-hydroxy fatty acid ascaroside (CHEBI:79205)
icas#18 (CHEBI:79105) is a 4-O-(1H-indol-3-ylcarbonyl)ascaroside (CHEBI:79024)
icas#18 (CHEBI:79105) is a monocarboxylic acid (CHEBI:25384)
Incoming ibha#18 (CHEBI:79354) has functional parent icas#18 (CHEBI:79105)
IUPAC Name
(10R)-10-{[3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-α-L-arabino-hexopyranosyl]oxy}undecanoic acid
Synonym Source
10R-(3'R-hydroxy-5'R-O-(1H-indol-3-ylcarbonyl)-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-undecanoic acid SMID
Manual Xref Database
icas%2318%0D SMID
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Registry Numbers Types Sources
1355683-05-4 CAS Registry Number SMID
22233481 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22239548 PubMed citation Europe PMC
Last Modified
25 July 2014