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ChEBI
> Main
CHEBI:72641 - 13-HOTrE
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ChEBI Ontology
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ChEBI Name
13-HOTrE
ChEBI ID
CHEBI:72641
Definition
A hydroxyoctadecatrienoic acid that consists of 9
Z
,11
E
,15
Z
-octadecatrienoic acid bearing an additional 13-hydroxy substituent.
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-
11-
14-
17(19)
15-
12-
9-
7-
5-
4-
6-
8-
10-
13-
16-
18(20)
21/h3,7,9,11-
12,15,17,19H,2,4-
6,8,10,13-
14,16H2,1H3,(H,20,21)
/b9-
7-
,11-
3-
,15-
12+
InChIKey
KLLGGGQNRTVBSU-JDTPQGGVSA-N
SMILES
CC\C=C/CC(O)\C=C\C=C/CCCCCCCC(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
)
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
HOTrE
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
13-HOTrE (
CHEBI:72641
)
is a
HOTrE (
CHEBI:72804
)
13-HOTrE (
CHEBI:72641
)
is a
hydroxy fatty acid (
CHEBI:24654
)
Incoming
13(
S
)-HOTrE (
CHEBI:84441
)
is a
13-HOTrE (
CHEBI:72641
)
IUPAC Name
(9
Z
,11
E
,15
Z
)-13-hydroxyoctadeca-9,11,15-trienoic acid
Synonyms
Sources
13-HOTE
LIPID MAPS
13-hydroxy-9
Z
,11
E
,15
Z
-octadecatrienoic acid
ChEBI
13-OH-9Z,11E,15Z-octadecatrienoic acid
LIPID MAPS
Manual Xrefs
Databases
HMDB0010203
HMDB
LMFA02000029
LIPID MAPS
View more database links
Registry Number
Type
Source
2648272
Reaxys Registry Number
Reaxys
Last Modified
23 October 2015