Terminology Service for NFDI4Health
bhos#36
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http://purl.obolibrary.org/obo/CHEBI_79268
An omega-hydroxy fatty acid ascaroside that is oscr#36 in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans.
Term info
Label
bhos#36
Synonyms
- (3R)-20-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-3-hydroxyicosanoic acid
Subsets
3_STAR
IUPAC NAME
(3R)-20-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-3-hydroxyicosanoic acid
[
IUPAC
]
charge
0
formula
C26H50O7
has obo namespace
chebi_ontology
has related synonym
3R-hydroxy-20-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-eicosanoic acid, 3R-hydroxy-20-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-icosanoic acid, (3R)-20-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-3-hydroxyeicosanoic acid
id
CHEBI:79268
inchi
InChI=1S/C26H50O7/c1-21-23(28)20-24(29)26(33-21)32-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-22(27)19-25(30)31/h21-24,26-29H,2-20H2,1H3,(H,30,31)/t21-,22+,23+,24+,26+/m0/s1
inchikey
GQQORDYSENBKGT-VIMOMQNVSA-N
mass
474.67100
monoisotopicmass
474.35565
smiles
C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1O