EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:136373 - 9-(octadecanoyloxy)octadecanoate

ChEBI IDCHEBI:136373
ChEBI Name9-(octadecanoyloxy)octadecanoate
Stars
DefinitionA monocarboxylic acid anion that is the conjugate base of 9-(octadecanoyloxy)octadecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified19 May 2017
Submitternhn
DownloadsMolfile
FormulaC36H69O4
Net Charge-1
Average Mass565.944
Monoisotopic Mass565.52013
SMILESCCCCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCC)CCCCCCCC(=O)[O-]
InChIInChI=1S/C36H70O4/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-25-29-33-36(39)40-34(30-26-22-19-10-8-6-4-2)31-27-23-21-24-28-32-35(37)38/h34H,3-33H2,1-2H3,(H,37,38)/p-1
InChIKeyNQJLCZWOOVLQNP-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
9-(octadecanoyloxy)octadecanoate (CHEBI:136373) is a monocarboxylic acid anion (CHEBI:35757)
9-(octadecanoyloxy)octadecanoate (CHEBI:136373) is conjugate base of 9-(octadecanoyloxy)octadecanoic acid (CHEBI:137097)
Incoming Relation(s)
9-(octadecanoyloxy)octadecanoic acid (CHEBI:137097) is conjugate acid of 9-(octadecanoyloxy)octadecanoate (CHEBI:136373)
IUPAC Name 
9-(octadecanoyloxy)octadecanoate
Synonyms  Source
9-SAHSA(1−)ChEBI
9-(stearoyloxy)stearateChEBI
FAHFA(18:0/9-O-18:0)(1−)SUBMITTER
UniProt Name  Source
9-octadecanoyloxy-octadecanoateUniProt
Citations