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CHEBI:137097 - 9-(octadecanoyloxy)octadecanoic acid

ChEBI IDCHEBI:137097
ChEBI Name9-(octadecanoyloxy)octadecanoic acid
Stars
DefinitionA fatty acid ester obtained by formal condensation of the carboxy group of octadecanoic acid with the hydroxy group of 9-hydroxyoctadecanoic acid.
Last Modified19 May 2017
SubmitterSteve
DownloadsMolfile
FormulaC36H70O4
Net Charge0
Average Mass566.952
Monoisotopic Mass566.52741
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)
InChIKeyNQJLCZWOOVLQNP-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)
9-(octadecanoyloxy)octadecanoic acid (CHEBI:137097) has functional parent 9-hydroxyoctadecanoic acid (CHEBI:136638)
9-(octadecanoyloxy)octadecanoic acid (CHEBI:137097) has functional parent octadecanoic acid (CHEBI:28842)
9-(octadecanoyloxy)octadecanoic acid (CHEBI:137097) is a fatty acid ester (CHEBI:35748)
9-(octadecanoyloxy)octadecanoic acid (CHEBI:137097) is a monocarboxylic acid (CHEBI:25384)
9-(octadecanoyloxy)octadecanoic acid (CHEBI:137097) is conjugate acid of 9-(octadecanoyloxy)octadecanoate (CHEBI:136373)
Incoming Relation(s)
9-(octadecanoyloxy)octadecanoate (CHEBI:136373) is conjugate base of 9-(octadecanoyloxy)octadecanoic acid (CHEBI:137097)
IUPAC Name 
9-(octadecanoyloxy)octadecanoic acid
Synonyms  Source
9-octadecanoyloxy-octadecanoic acidLIPID MAPS
9-SAHSALIPID MAPS
9-(stearoyloxy)stearic acidChEBI
FAHFA(18:0/9-O-18:0)LIPID MAPS
Manual XrefsDatabases
LMFA07011045LIPID MAPS
Citations