CHEBI:79237 - bhas#34

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ChEBI Name bhas#34
ChEBI ID CHEBI:79237
Definition An (ω−1)-hydroxy fatty acid ascaroside that is ascr#34 in which the pro-R hydrogen that is β to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C25H48O7
Net Charge 0
Average Mass 460.64440
Monoisotopic Mass 460.34000
InChI InChI=1S/C25H48O7/c1-19(31-25-23(28)18-22(27)20(2)32-25)15-13-11-9-7-5-3-4-6-8-10-12-14-16-21(26)17-24(29)30/h19-23,25-28H,3-18H2,1-2H3,(H,29,30)/t19-,20+,21-,22-,23-,25-/m1/s1
InChIKey PRXKHETUIWVNNB-MYSWHGEBSA-N
SMILES C[C@H](CCCCCCCCCCCCCC[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) A major ascaroside 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#34 (CHEBI:79237) has functional parent (3R,18R)-3,18-dihydroxynonadecanoic acid (CHEBI:79251)
bhas#34 (CHEBI:79237) has functional parent ascr#34 (CHEBI:78972)
bhas#34 (CHEBI:79237) has role Caenorhabditis elegans metabolite (CHEBI:78804)
bhas#34 (CHEBI:79237) is a (ω−1)-hydroxy fatty acid ascaroside (CHEBI:79205)
bhas#34 (CHEBI:79237) is a 3-hydroxy carboxylic acid (CHEBI:61355)
bhas#34 (CHEBI:79237) is a monocarboxylic acid (CHEBI:25384)
bhas#34 (CHEBI:79237) is conjugate acid of bhas#34(1-) (CHEBI:139759)
Incoming bhas#34(1-) (CHEBI:139759) is conjugate base of bhas#34 (CHEBI:79237)
IUPAC Name
(3R,18R)-18-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]-3-hydroxynonadecanoic acid
Synonym Source
3R-hydroxy-18R-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-nonadecanoic acid SMID
Manual Xref Database
bhas%2334%0D SMID
View more database links
Registry Numbers Types Sources
1355682-66-4 CAS Registry Number SMID
22233502 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22239548 PubMed citation Europe PMC
Last Modified
25 July 2014