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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.
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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 (Br
o
nsted 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