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bhas#40

Go to external page http://purl.obolibrary.org/obo/CHEBI_79240

An (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the (omega-1)-hydroxy group of (3R,21R)-3,21-dihydroxydocosanoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.

Term info

Label

bhas#40

database cross reference
Subsets

3_STAR

charge

0

formula

C28H54O7

has obo namespace

chebi_ontology

id

CHEBI:79240

inchi

InChI=1S/C28H54O7/c1-22(34-28-26(31)21-25(30)23(2)35-28)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-24(29)20-27(32)33/h22-26,28-31H,3-21H2,1-2H3,(H,32,33)/t22-,23+,24-,25-,26-,28-/m1/s1

inchikey

KNOOLMWLZZIQFQ-CWEZWLNASA-N

mass

502.72420

monoisotopicmass

502.38695

smiles

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