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ascr#36

Go to external page http://purl.obolibrary.org/obo/CHEBI_78974

An (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (19R)-19-hydroxyicosanoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.

Term info

Label

ascr#36

Synonyms
  • (19R)-19-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]icosanoic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
(19R)-19-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]icosanoic acid [ IUPAC ]

charge

0

formula

C26H50O6

has obo namespace

chebi_ontology

has related synonym

19R-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-eicosanoic acid, 19R-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-icosanoic acid, (19R)-19-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]eicosanoic acid

id

CHEBI:78974

inchi

InChI=1S/C26H50O6/c1-21(31-26-24(28)20-23(27)22(2)32-26)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-25(29)30/h21-24,26-28H,3-20H2,1-2H3,(H,29,30)/t21-,22+,23-,24-,26-/m1/s1

inchikey

HXSYLHMSXGUNTO-DHWOPMESSA-N

mass

458.67160

monoisotopicmass

458.36074

smiles

C[C@H](CCCCCCCCCCCCCCCCCC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O