CHEBI:137091 - 13-(octadecanoyloxy)octadecanoic acid

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ChEBI Name 13-(octadecanoyloxy)octadecanoic acid
ChEBI ID CHEBI:137091
Definition A fatty acid ester obtained by formal condensation of the carboxy group of octadecanoic acid with the hydroxy group of 13-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/c1-3-5-7-8-9-10-11-12-13-14-15-19-22-25-29-33-36(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)
InChIKey OCKHONDLGBRMHC-UHFFFAOYSA-N
SMILES C(CCCCCCCC(=O)OC(CCCCCCCCCCCC(=O)O)CCCCC)CCCCCCCCC
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 13-(octadecanoyloxy)octadecanoate (CHEBI:136335) is conjugate base of 13-(octadecanoyloxy)octadecanoic acid (CHEBI:137091)
IUPAC Name
13-(octadecanoyloxy)octadecanoic acid
Synonyms Sources
13-(stearoyloxy)stearic acid ChEBI
13-octadecanoyloxy-octadecanoic acid LIPID MAPS
13-SAHSA LIPID MAPS
FAHFA(18:0/13-O-18:0) LIPID MAPS
Manual Xref Database
LMFA07011049 LIPID MAPS
View more database links
Last Modified
19 May 2017