CHEBI:79240 - bhas#40

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ChEBI Name bhas#40
ChEBI ID CHEBI:79240
Definition An (ω−1)-hydroxy fatty acid ascaroside obtained by formal condensation of the (ω−1)-hydroxy group of (3R,21R)-3,21-dihydroxydocosanoic 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
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Formula C28H54O7
Net Charge 0
Average Mass 502.72420
Monoisotopic Mass 502.38695
InChI InChI=1S/C28H54O7/c1-22(34-28-26(31)21-25(30)23(2)35-28)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-24(29)20-27(32)33/h22-26,28-31H,3-21H2,1-2H3,(H,32,33)/t22-,23+,24-,25-,26-,28-/m1/s1
InChIKey KNOOLMWLZZIQFQ-CWEZWLNASA-N
SMILES C[C@H](CCCCCCCCCCCCCCCCC[C@@H](O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
Metabolite of Species Details
Caenorhabditis elegans (NCBI:txid6239) Detected in dhs-28(hj8), daf-22(ok693), 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 bhas#40 (CHEBI:79240) has functional parent (3R,21R)-3,21-dihydroxybehenic acid (CHEBI:79254)
bhas#40 (CHEBI:79240) has role Caenorhabditis elegans metabolite (CHEBI:78804)
bhas#40 (CHEBI:79240) is a (ω−1)-hydroxy fatty acid ascaroside (CHEBI:79205)
bhas#40 (CHEBI:79240) is a 3-hydroxy carboxylic acid (CHEBI:61355)
bhas#40 (CHEBI:79240) is a monocarboxylic acid (CHEBI:25384)
Manual Xref Database
bhas%2340%0D SMID
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Citation Waiting for Citations Type Source
22239548 PubMed citation Europe PMC
Last Modified
25 July 2014