Terminology Service for NFDI4Health
13-(octadecanoyloxy)octadecanoate
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http://purl.obolibrary.org/obo/CHEBI_136335
A monocarboxylic acid anion that is the conjugate base of 13-(octadecanoyloxy)octadecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Term info
Label
13-(octadecanoyloxy)octadecanoate
Synonyms
- 13-(octadecanoyloxy)octadecanoate
Subsets
3_STAR
charge
-1
formula
C36H69O4
has obo namespace
chebi_ontology
has related synonym
FAHFA(18:0/13-O-18:0)(1-), 13-(stearoyloxy)stearate, 13-octadecanoyloxy-octadecanoate, 13-SAHSA(1-)
id
CHEBI:136335
inchi
InChI=1S/C36H70O4/c1-3-5-7-8-9-10-11-12-13-14-15-19-22-25-29-33-36(39)40-34(30-26-6-4-2)31-27-23-20-17-16-18-21-24-28-32-35(37)38/h34H,3-33H2,1-2H3,(H,37,38)/p-1
inchikey
OCKHONDLGBRMHC-UHFFFAOYSA-M
mass
565.932
monoisotopicmass
565.52013
smiles
C(CCCCCCCC(=O)OC(CCCCCCCCCCCC(=O)[O-])CCCCC)CCCCCCCCC
Term relations
Subclass of:
Related from: