CHEBI:79259 - bhos#18

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name bhos#18
ChEBI ID CHEBI:79259
Definition An ω-hydroxy fatty acid ascaroside that is oscr#18 in which the pro-R hydrogen 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 C17H32O7
Net Charge 0
Average Mass 348.43180
Monoisotopic Mass 348.21480
InChI InChI=1S/C17H32O7/c1-12-14(19)11-15(20)17(24-12)23-9-7-5-3-2-4-6-8-13(18)10-16(21)22/h12-15,17-20H,2-11H2,1H3,(H,21,22)/t12-,13+,14+,15+,17+/m0/s1
InChIKey GGYMGUAMSXCZMJ-ZAPJKBGESA-N
SMILES C[C@@H]1O[C@@H](OCCCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1O
Metabolite of Species Details
Caenorhabditis elegans (NCBI:txid6239) Detected in wild type (N2) as well as dhs-28(hj8), maoc-1(hj13), and acox-1(ok2257) 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 bhos#18 (CHEBI:79259) has functional parent (3R)-3,11-dihydroxyundecanoic acid (CHEBI:79275)
bhos#18 (CHEBI:79259) has functional parent oscr#18 (CHEBI:79140)
bhos#18 (CHEBI:79259) has role Caenorhabditis elegans metabolite (CHEBI:78804)
bhos#18 (CHEBI:79259) is a ω-hydroxy fatty acid ascaroside (CHEBI:79204)
bhos#18 (CHEBI:79259) is a 3-hydroxy carboxylic acid (CHEBI:61355)
bhos#18 (CHEBI:79259) is a monocarboxylic acid (CHEBI:25384)
bhos#18 (CHEBI:79259) is conjugate acid of bhos#18(1-) (CHEBI:139788)
Incoming ibho#18 (CHEBI:79372) has functional parent bhos#18 (CHEBI:79259)
bhos#18(1-) (CHEBI:139788) is conjugate base of bhos#18 (CHEBI:79259)
IUPAC Name
(3R)-11-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]-3-hydroxyundecanoic acid
Synonym Source
3R-hydroxy-11-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-undecanoic acid SMID
Manual Xref Database
bhos%2318%0D SMID
View more database links
Registry Numbers Types Sources
1355682-75-5 CAS Registry Number SMID
22233415 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22239548 PubMed citation Europe PMC
Last Modified
25 July 2014