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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:72866 - 8-HETrE
Main
ChEBI Ontology
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ChEBI Name
8-HETrE
ChEBI ID
CHEBI:72866
Definition
A hydroxyeicosatrienoic acid that consists of 9
E
,11
Z
,14
Z
-eicosatrienoic acid bearing an 8-hydroxy substituent.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C20H34O3
Net Charge
0
Average Mass
322.48220
Monoisotopic Mass
322.25079
InChI
InChI=1S/C20H34O3/c1-
2-
3-
4-
5-
6-
7-
8-
9-
10-
13-
16-
19(21)
17-
14-
11-
12-
15-
18-
20(22)
23/h6-
7,9-
10,13,16,19,21H,2-
5,8,11-
12,14-
15,17-
18H2,1H3,(H,22,23)
/b7-
6-
,10-
9-
,16-
13+
InChIKey
SKIQVURLERJJCK-SFULQBOPSA-N
SMILES
CCCCC\C=C/C\C=C/C=C/C(O)CCCCCCC(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
HETrE
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
8-HETrE (
CHEBI:72866
)
has functional parent
all
-
cis
-icosa-8,11,14-trienoic acid (
CHEBI:53486
)
8-HETrE (
CHEBI:72866
)
has role
metabolite (
CHEBI:25212
)
8-HETrE (
CHEBI:72866
)
is a
HETrE (
CHEBI:72793
)
Incoming
8(
S
)-HETrE (
CHEBI:140473
)
is a
8-HETrE (
CHEBI:72866
)
IUPAC Name
(9
E
,11
Z
,14
Z
)-8-hydroxyicosa-9,11,14-trienoic acid
Synonyms
Sources
(9
E
,11
Z
,14
Z
)-8-hydroxyeicosa-9,11,14-trienoic acid
ChEBI
8-hydroxy-9
E
,11
Z
,14
Z
-eicosatrienoic acid
IUPAC
8-hydroxy-9
E
,11
Z
,14
Z
-icosatrienoic acid
ChEBI
Last Modified
23 March 2018