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ChEBI
> Main
CHEBI:19135 - (13
S
)-12,13-epoxyoctadeca-9,11-dienoic acid
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ChEBI Name
(13
S
)-12,13-epoxyoctadeca-9,11-dienoic acid
ChEBI ID
CHEBI:19135
ChEBI ASCII Name
(13S)-12,13-epoxyoctadeca-9,11-dienoic acid
Definition
A C
18
, polyunsaturated, epoxy fatty acid having double bonds at positions 9 and 11, and a (13
S
)-12,13-epoxy group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C18H30O3
Net Charge
0
Average Mass
294.42900
Monoisotopic Mass
294.21949
InChI
InChI=1S/C18H30O3/c1-
2-
3-
10-
13-
16-
17(21-
16)
14-
11-
8-
6-
4-
5-
7-
9-
12-
15-
18(19)
20/h8,11,14,16H,2-
7,9-
10,12-
13,15H2,1H3,(H,19,20)
/t16-
/m0/s1
InChIKey
ZFVKKBAQVWQQHP-INIZCTEOSA-N
SMILES
[H]C(CCCCCCCC(O)=O)=CC([H])=C1O[C@@]1([H])CCCCC
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
S
)-12,13-epoxyoctadeca-9,11-dienoic acid (
CHEBI:19135
)
has functional parent
octadeca-9,11-dienoic acid (
CHEBI:36025
)
(13
S
)-12,13-epoxyoctadeca-9,11-dienoic acid (
CHEBI:19135
)
is a
epoxy fatty acid (
CHEBI:61498
)
(13
S
)-12,13-epoxyoctadeca-9,11-dienoic acid (
CHEBI:19135
)
is a
long-chain fatty acid (
CHEBI:15904
)
(13
S
)-12,13-epoxyoctadeca-9,11-dienoic acid (
CHEBI:19135
)
is a
polyunsaturated fatty acid (
CHEBI:26208
)
Incoming
(9
Z
,13
S
)-12,13-epoxyoctadeca-9,11-dienoic acid (
CHEBI:15654
)
is a
(13
S
)-12,13-epoxyoctadeca-9,11-dienoic acid (
CHEBI:19135
)
IUPAC Name
11-[(3
S
)-3-pentyloxiran-2-ylidene]undec-9-enoic acid
Citation
Type
Source
16363141
PubMed citation
Europe PMC
Last Modified
28 March 2011