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ChEBI
> Main
CHEBI:136996 - 9-[(9
Z
)-octadecenoyloxy]octadecanoic acid
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ChEBI Name
9-[(9
Z
)-octadecenoyloxy]octadecanoic acid
ChEBI ID
CHEBI:136996
ChEBI ASCII Name
9-[(9Z)-octadecenoyloxy]octadecanoic acid
Definition
A fatty acid ester obtained by formal condensation of the carboxy group of oleic acid with the hydroxy group of 9-hydroxyoctadecanoic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C36H68O4
Net Charge
0
Average Mass
564.924
Monoisotopic Mass
564.51176
InChI
InChI=1S/C36H68O4/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/h14-
15,34H,3-
13,16-
33H2,1-
2H3,(H,37,38)
/b15-
14-
InChIKey
PGKKGBQMNNEIHV-PFONDFGASA-N
SMILES
C(\CCCCCCCC(=O)OC(CCCCCCCC(=O)O)CCCCCCCCC)=C\CCCCCCCC
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
9-[(9
Z
)-octadecenoyloxy]octadecanoic acid (
CHEBI:136996
)
has functional parent
9-hydroxyoctadecanoic acid (
CHEBI:136638
)
9-[(9
Z
)-octadecenoyloxy]octadecanoic acid (
CHEBI:136996
)
has functional parent
oleic acid (
CHEBI:16196
)
9-[(9
Z
)-octadecenoyloxy]octadecanoic acid (
CHEBI:136996
)
is a
fatty acid ester (
CHEBI:35748
)
9-[(9
Z
)-octadecenoyloxy]octadecanoic acid (
CHEBI:136996
)
is a
monocarboxylic acid (
CHEBI:25384
)
9-[(9
Z
)-octadecenoyloxy]octadecanoic acid (
CHEBI:136996
)
is conjugate acid of
9-[(9
Z
)-octadecenoyloxy]octadecanoate (
CHEBI:136282
)
Incoming
9-[(9
Z
)-octadecenoyloxy]octadecanoate (
CHEBI:136282
)
is conjugate base of
9-[(9
Z
)-octadecenoyloxy]octadecanoic acid (
CHEBI:136996
)
IUPAC Name
9-{[(9
Z
)-octadec-9-enoyl]oxy}octadecanoic acid
Synonyms
Sources
9-(9Z-octadecenoyloxy)-octadecanoic acid
LIPID MAPS
9-(oleoyloxy)stearic acid
ChEBI
9-OAHSA
LIPID MAPS
FAHFA(18:1(9Z)/9-O-18:0)
LIPID MAPS
Oleic estolide
ChemIDplus
Manual Xref
Database
LMFA07011061
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
154086-90-5
CAS Registry Number
ChemIDplus
8961764
Reaxys Registry Number
Reaxys
Last Modified
19 May 2017