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bhas#30

Go to external page http://purl.obolibrary.org/obo/CHEBI_79235

An (omega-1)-hydroxy fatty acid ascaroside that is ascr#30 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#30

Synonyms
  • (3R,16R)-16-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-3-hydroxyheptadecanoic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
(3R,16R)-16-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-3-hydroxyheptadecanoic acid [ IUPAC ]

charge

0

formula

C23H44O7

has obo namespace

chebi_ontology

has related synonym

3R-hydroxy-16R-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-heptadecanoic acid

id

CHEBI:79235

inchi

InChI=1S/C23H44O7/c1-17(29-23-21(26)16-20(25)18(2)30-23)13-11-9-7-5-3-4-6-8-10-12-14-19(24)15-22(27)28/h17-21,23-26H,3-16H2,1-2H3,(H,27,28)/t17-,18+,19-,20-,21-,23-/m1/s1

inchikey

MUVQYJIVDRBMJO-XBTHPWMNSA-N

mass

432.59130

monoisotopicmass

432.30870

smiles

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