EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:79240 - bhas#40

ChEBI IDCHEBI:79240
ChEBI Namebhas#40
Stars
DefinitionAn (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.
Last Modified25 July 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC28H54O7
Net Charge0
Average Mass502.733
Monoisotopic Mass502.38695
SMILESC[C@H](CCCCCCCCCCCCCCCCC[C@@H](O)CC(=O)O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
InChIInChI=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
InChIKeyKNOOLMWLZZIQFQ-CWEZWLNASA-N
Species of MetaboliteComponentSourceComments
Caenorhabditis elegans (ncbitaxon:6239) - PubMed (22239548) Detected in dhs-28(hj8), daf-22(ok693), and maoc-1(hj13) mutant worms.
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
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.
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
bhas%2340%0DSMID
Citations