CHEBI:79157 - oscr#35

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ChEBI Name oscr#35
ChEBI ID CHEBI:79157
Definition An ω-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E)-20-hydroxyicos-2-enoic 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 ZINC000219956764
Download Molfile XML SDF
Formula C26H48O6
Net Charge 0
Average Mass 456.65570
Monoisotopic Mass 456.34509
InChI InChI=1S/C26H48O6/c1-22-23(27)21-24(28)26(32-22)31-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-25(29)30/h17,19,22-24,26-28H,2-16,18,20-21H2,1H3,(H,29,30)/b19-17+/t22-,23+,24+,26+/m0/s1
InChIKey AIUNLQUMHTUTNR-YHGVQZPQSA-N
SMILES C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCC\C=C\C(O)=O)[C@H](O)C[C@H]1O
Metabolite of Species Details
Caenorhabditis elegans (NCBI:txid6239) Detected in maoc-1(hj13) and dhs-28(hj8) 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 oscr#35 (CHEBI:79157) has functional parent (2E)-20-hydroxyicos-2-enoic acid (CHEBI:79184)
oscr#35 (CHEBI:79157) has role Caenorhabditis elegans metabolite (CHEBI:78804)
oscr#35 (CHEBI:79157) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
oscr#35 (CHEBI:79157) is a ω-hydroxy fatty acid ascaroside (CHEBI:79204)
oscr#35 (CHEBI:79157) is conjugate acid of oscr#35(1−) (CHEBI:140041)
Incoming oscr#35-CoA (CHEBI:140042) has functional parent oscr#35 (CHEBI:79157)
oscr#35(1−) (CHEBI:140041) is conjugate base of oscr#35 (CHEBI:79157)
IUPAC Name
(2E)-20-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]icos-2-enoic acid
Synonym Source
20-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-2E-icosenoic acid SMID
Manual Xref Database
oscr%2335 SMID
View more database links
Registry Numbers Types Sources
1355682-41-5 CAS Registry Number SMID
22233497 Reaxys Registry Number Reaxys
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Last Modified
20 February 2018