CHEBI:79129 - mbas#10

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ChEBI Name mbas#10
ChEBI ID CHEBI:79129
Definition A 4-O-[(E)-2-methyl-2-butenoyl]ascaroside derived from (8R)-8-hydroxynonanoic acid. It is a metabolite of the nematode Caenorhabditis elegans.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C20H34O7
Net Charge 0
Average Mass 386.47980
Monoisotopic Mass 386.23045
InChI InChI=1S/C20H34O7/c1-5-13(2)19(24)27-17-12-16(21)20(26-15(17)4)25-14(3)10-8-6-7-9-11-18(22)23/h5,14-17,20-21H,6-12H2,1-4H3,(H,22,23)/b13-5+/t14-,15+,16-,17-,20-/m1/s1
InChIKey IARVMWOCDIKRTC-GIYJNIOBSA-N
SMILES C\C=C(/C)C(=O)OC1CC(O)C(OC(C)CCCCCCC(O)=O)OC1C
Metabolite of Species Details
Caenorhabditis elegans (NCBI:txid6239) Detected in acox-1(ok2257) 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 mbas#10 (CHEBI:79129) has functional parent (8R)-8-hydroxynonanoic acid (CHEBI:78839)
mbas#10 (CHEBI:79129) has functional parent ascr#10 (CHEBI:78838)
mbas#10 (CHEBI:79129) has role Caenorhabditis elegans metabolite (CHEBI:78804)
mbas#10 (CHEBI:79129) is a 4-O-[(E)-2-methyl-2-butenoyl]ascaroside (CHEBI:79127)
mbas#10 (CHEBI:79129) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name
(8R)-8-({3,6-dideoxy-4-O-[(2E)-2-methylbut-2-enoyl]-α-L-arabino-hexopyranosyl}oxy)nonanoic acid
Synonym Source
8R-(3'R-hydroxy-5'R-O-((E)-2-methyl-2-butenoyl)-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-nonanoic acid SMID
Manual Xref Database
mbas%2310 SMID
View more database links
Registry Numbers Types Sources
1355683-69-0 CAS Registry Number SMID
22233417 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22239548 PubMed citation Europe PMC
Last Modified
25 July 2014