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> Main
CHEBI:94780 - (13S)-13-hydroxyoctadeca-9,11-dienoic acid
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ChEBI Ontology
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ChEBI Name
(13S)-13-hydroxyoctadeca-9,11-dienoic acid
ChEBI ID
CHEBI:94780
Stars
This entity has been manually annotated by a third party.
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Formula
C18H32O3
Net Charge
0
Average Mass
296.446
Monoisotopic Mass
296.23514
InChI
InChI=1S/C18H32O3/c1-
2-
3-
11-
14-
17(19)
15-
12-
9-
7-
5-
4-
6-
8-
10-
13-
16-
18(20)
21/h7,9,12,15,17,19H,2-
6,8,10-
11,13-
14,16H2,1H3,(H,20,21)
/t17-
/m0/s1
InChIKey
HNICUWMFWZBIFP-KRWDZBQOSA-N
SMILES
CCCCC[C@@H](C=CC=CCCCCCCCC(=O)O)O
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
(13S)-13-hydroxyoctadeca-9,11-dienoic acid (
CHEBI:94780
)
is a
octadecadienoic acid (
CHEBI:25627
)
Manual Xref
Database
LSM-5921
LINCS
View more database links
Last Modified
24 February 2022