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CHEBI:137091 - 13-(octadecanoyloxy)octadecanoic acid

ChEBI IDCHEBI:137091
ChEBI Name13-(octadecanoyloxy)octadecanoic acid
Stars
DefinitionA fatty acid ester obtained by formal condensation of the carboxy group of octadecanoic acid with the hydroxy group of 13-hydroxyoctadecanoic acid.
Last Modified19 May 2017
SubmitterSteve
DownloadsMolfile
FormulaC36H70O4
Net Charge0
Average Mass566.952
Monoisotopic Mass566.52741
SMILESCCCCCCCCCCCCCCCCCC(=O)OC(CCCCC)CCCCCCCCCCCC(=O)O
InChIInChI=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)
InChIKeyOCKHONDLGBRMHC-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
13-(octadecanoyloxy)octadecanoic acid (CHEBI:137091) has functional parent 13-hydroxyoctadecanoic acid (CHEBI:136406)
13-(octadecanoyloxy)octadecanoic acid (CHEBI:137091) has functional parent octadecanoic acid (CHEBI:28842)
13-(octadecanoyloxy)octadecanoic acid (CHEBI:137091) is a fatty acid ester (CHEBI:35748)
13-(octadecanoyloxy)octadecanoic acid (CHEBI:137091) is a monocarboxylic acid (CHEBI:25384)
13-(octadecanoyloxy)octadecanoic acid (CHEBI:137091) is conjugate acid of 13-(octadecanoyloxy)octadecanoate (CHEBI:136335)
Incoming Relation(s)
13-(octadecanoyloxy)octadecanoate (CHEBI:136335) is conjugate base of 13-(octadecanoyloxy)octadecanoic acid (CHEBI:137091)
IUPAC Name 
13-(octadecanoyloxy)octadecanoic acid
Synonyms  Source
13-octadecanoyloxy-octadecanoic acidLIPID MAPS
13-SAHSALIPID MAPS
13-(stearoyloxy)stearic acidChEBI
FAHFA(18:0/13-O-18:0)LIPID MAPS
Manual XrefsDatabases
LMFA07011049LIPID MAPS