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CHEBI:136330 - 12-(octadecanoyloxy)octadecanoate

ChEBI IDCHEBI:136330
ChEBI Name12-(octadecanoyloxy)octadecanoate
Stars
DefinitionA monocarboxylic acid anion that is the conjugate base of 12-(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(CCCCCC)CCCCCCCCCCC(=O)[O-]
InChIInChI=1S/C36H70O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-22-25-29-33-36(39)40-34(30-26-8-6-4-2)31-27-23-20-18-19-21-24-28-32-35(37)38/h34H,3-33H2,1-2H3,(H,37,38)/p-1
InChIKeyHCUIHIKPUYHKSQ-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
12-(octadecanoyloxy)octadecanoate (CHEBI:136330) is a monocarboxylic acid anion (CHEBI:35757)
12-(octadecanoyloxy)octadecanoate (CHEBI:136330) is conjugate base of 12-(octadecanoyloxy)octadecanoic acid (CHEBI:137089)
Incoming Relation(s)
12-(octadecanoyloxy)octadecanoic acid (CHEBI:137089) is conjugate acid of 12-(octadecanoyloxy)octadecanoate (CHEBI:136330)
IUPAC Name 
12-(octadecanoyloxy)octadecanoate
Synonyms  Source
FAHFA(18:0/12-O-18:0)(1−)SUBMITTER
12-SAHSA(1−)ChEBI
12-(stearoyloxy)stearateChEBI
UniProt Name  Source
12-octadecanoyloxy-octadecanoateUniProt
Citations