CHEBI:79241 - bhas#42

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name bhas#42
ChEBI ID CHEBI:79241
Definition An (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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB9256093, eMolecules:486610
Download Molfile XML SDF
Formula C29H56O7
Net Charge 0
Average Mass 516.75070
Monoisotopic Mass 516.40260
InChI InChI=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
InChIKey WJTVYQIDWKKLFI-HDVHYMLASA-N
SMILES C[C@H](CCCCCCCCCCCCCCCCCC[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#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 Xref Database
bhas%2342%0D SMID
View more database links
Citation Waiting for Citations Type Source
22239548 PubMed citation Europe PMC
Last Modified
25 July 2014