CHEBI:137089 - 12-(octadecanoyloxy)octadecanoic acid

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ChEBI Name 12-(octadecanoyloxy)octadecanoic acid
ChEBI ID CHEBI:137089
Definition A fatty acid ester obtained by formal condensation of the carboxy group of octadecanoic acid with the hydroxy group of 12-hydroxyoctadecanoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C36H70O4
Net Charge 0
Average Mass 566.940
Monoisotopic Mass 566.52741
InChI InChI=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)
InChIKey HCUIHIKPUYHKSQ-UHFFFAOYSA-N
SMILES C(CCCCCCCC(=O)OC(CCCCCCCCCCC(=O)O)CCCCCC)CCCCCCCCC
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via 12-hydroxyoctadecanoic acid )
bacterial xenobiotic metabolite
Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
(via 12-hydroxyoctadecanoic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 12-(octadecanoyloxy)octadecanoic acid (CHEBI:137089) has functional parent octadecanoic acid (CHEBI:28842)
12-(octadecanoyloxy)octadecanoic acid (CHEBI:137089) is a 12-hydroxyoctadecanoic acid (CHEBI:85208)
12-(octadecanoyloxy)octadecanoic acid (CHEBI:137089) is a fatty acid ester (CHEBI:35748)
12-(octadecanoyloxy)octadecanoic acid (CHEBI:137089) is a monocarboxylic acid (CHEBI:25384)
12-(octadecanoyloxy)octadecanoic acid (CHEBI:137089) is conjugate acid of 12-(octadecanoyloxy)octadecanoate (CHEBI:136330)
Incoming 12-(octadecanoyloxy)octadecanoate (CHEBI:136330) is conjugate base of 12-(octadecanoyloxy)octadecanoic acid (CHEBI:137089)
IUPAC Name
12-(octadecanoyloxy)octadecanoic acid
Synonyms Sources
12-(stearoyloxy)stearic acid ChEBI
12-octadecanoyloxy-octadecanoic acid LIPID MAPS
12-SAHSA LIPID MAPS
FAHFA(18:0/12-O-18:0) LIPID MAPS
Manual Xref Database
LMFA07011048 LIPID MAPS
View more database links
Registry Number Type Source
17355737 Reaxys Registry Number Reaxys
Last Modified
19 May 2017