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bhos#40

Go to external page http://purl.obolibrary.org/obo/CHEBI_79270

An omega-hydroxy fatty acid ascaroside that derived from reaction of the omega-hydroxy group of (3R)-3,22-dihydroxybehenic acid [(3R)-3,22-dihydroxydocosanoic acid] with alpha-ascarylopyranose. It is a metabolite of the nematode Caenorhabditis elegans.

Term info

Label

bhos#40

Synonyms
  • (3R)-22-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-3-hydroxydocosanoic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
(3R)-22-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-3-hydroxydocosanoic acid [ IUPAC ]

charge

0

formula

C28H54O7

has obo namespace

chebi_ontology

has related synonym

3R-hydroxy-22-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-docosanoic acid

id

CHEBI:79270

inchi

InChI=1S/C28H54O7/c1-23-25(30)22-26(31)28(35-23)34-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-24(29)21-27(32)33/h23-26,28-31H,2-22H2,1H3,(H,32,33)/t23-,24+,25+,26+,28+/m0/s1

inchikey

JFATZVZKPLWHAI-HWRPZNHGSA-N

mass

502.72420

monoisotopicmass

502.38695

smiles

C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1O