Terminology Service for NFDI4Health
bhas#36
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http://purl.obolibrary.org/obo/CHEBI_79238
An (omega-1)-hydroxy fatty acid ascaroside that is ascr#36 in which the pro-R hydrogen that is beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans.
Term info
Label
bhas#36
Synonyms
- (3R,19R)-19-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-3-hydroxyicosanoic acid
Subsets
3_STAR
IUPAC NAME
(3R,19R)-19-[(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,19R)-19-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-3-hydroxyeicosanoic acid, 3R-hydroxy-19R-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-eicosanoic acid, 3R-hydroxy-19R-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-icosanoic acid
id
CHEBI:79238
inchi
InChI=1S/C26H50O7/c1-20(32-26-24(29)19-23(28)21(2)33-26)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-22(27)18-25(30)31/h20-24,26-29H,3-19H2,1-2H3,(H,30,31)/t20-,21+,22-,23-,24-,26-/m1/s1
inchikey
SJIIOKVLMUJXBB-VFRMFGFGSA-N
mass
474.67100
monoisotopicmass
474.35565
smiles
C[C@H](CCCCCCCCCCCCCCC[C@@H](O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O