CHEBI:137097 - 9-(octadecanoyloxy)octadecanoic acid

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ChEBI Name 9-(octadecanoyloxy)octadecanoic acid
ChEBI ID CHEBI:137097
Definition A fatty acid ester obtained by formal condensation of the carboxy group of octadecanoic acid with the hydroxy group of 9-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/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-25-29-33-36(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)
InChIKey NQJLCZWOOVLQNP-UHFFFAOYSA-N
SMILES C(CCCCCCCC(=O)OC(CCCCCCCC(=O)O)CCCCCCCCC)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 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 9-(octadecanoyloxy)octadecanoate (CHEBI:136373) is conjugate base of 9-(octadecanoyloxy)octadecanoic acid (CHEBI:137097)
IUPAC Name
9-(octadecanoyloxy)octadecanoic acid
Synonyms Sources
9-(stearoyloxy)stearic acid ChEBI
9-octadecanoyloxy-octadecanoic acid LIPID MAPS
9-SAHSA LIPID MAPS
FAHFA(18:0/9-O-18:0) LIPID MAPS
Manual Xref Database
LMFA07011045 LIPID MAPS
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Citation Waiting for Citations Type Source
27509211 PubMed citation Europe PMC
Last Modified
19 May 2017