EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:79241 - bhas#42

ChEBI IDCHEBI:79241
ChEBI Namebhas#42
Stars
DefinitionAn (ω−1)-hydroxy fatty acid ascaroside obtained by formal condensation of the (ω−1)-hydroxy group of (3R,22R)-3,22-dihydroxytricosanoic acid with ascarylopyranose (the α anomer). It is a metabolite of the nematode Caenorhabditis elegans.
Last Modified25 July 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC29H56O7
Net Charge0
Average Mass516.760
Monoisotopic Mass516.40260
SMILESC[C@H](CCCCCCCCCCCCCCCCCC[C@@H](O)CC(=O)O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
InChIInChI=1S/C29H56O7/c1-23(35-29-27(32)22-26(31)24(2)36-29)19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-25(30)21-28(33)34/h23-27,29-32H,3-22H2,1-2H3,(H,33,34)/t23-,24+,25-,26-,27-,29-/m1/s1
InChIKeyWJTVYQIDWKKLFI-HDVHYMLASA-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#42 (CHEBI:79241) has functional parent (3R,22R)-3,22-dihydroxytricosanoic acid (CHEBI:79255)
bhas#42 (CHEBI:79241) has role Caenorhabditis elegans metabolite (CHEBI:78804)
bhas#42 (CHEBI:79241) is a (ω−1)-hydroxy fatty acid ascaroside (CHEBI:79205)
bhas#42 (CHEBI:79241) is a 3-hydroxy carboxylic acid (CHEBI:61355)
bhas#42 (CHEBI:79241) is a monocarboxylic acid (CHEBI:25384)
Manual XrefsDatabases
bhas%2342%0DSMID
Citations