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ChEBI
> Main
CHEBI:72647 - 14-HDoHE
Main
ChEBI Ontology
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ChEBI Name
14-HDoHE
ChEBI ID
CHEBI:72647
Definition
A hydroxydocosahexaenoic acid that consists of (4
Z
,7
Z
,10
Z
,12
E
,16
Z
,19
Z
)-docosahexaenoic acid bearing an additional 14-hydroxy substituent.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Molfile
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Molfile
Formula
C22H32O3
Net Charge
0
Average Mass
344.489
Monoisotopic Mass
344.23514
InChI
InChI=1S/C22H32O3/c1-
2-
3-
4-
5-
12-
15-
18-
21(23)
19-
16-
13-
10-
8-
6-
7-
9-
11-
14-
17-
20-
22(24)
25/h3-
4,6-
7,10-
16,19,21,23H,2,5,8-
9,17-
18,20H2,1H3,(H,24,25)
/b4-
3-
,7-
6-
,13-
10-
,14-
11-
,15-
12-
,19-
16+
InChIKey
ZNEBXONKCYFJAF-BGKMTWLOSA-N
SMILES
C(C(O)=O)C/C=C\C/C=C\C\C=C/C=C/C(C/C=C\C/C=C\CC)O
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
See:
PubMed
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):
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
hydroxydocosahexaenoic acid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
14-HDoHE (
CHEBI:72647
)
has role
human xenobiotic metabolite (
CHEBI:76967
)
14-HDoHE (
CHEBI:72647
)
is a
hydroxydocosahexaenoic acid (
CHEBI:72790
)
14-HDoHE (
CHEBI:72647
)
is a
secondary allylic alcohol (
CHEBI:134396
)
14-HDoHE (
CHEBI:72647
)
is conjugate acid of
14-HDoHE(1−) (
CHEBI:90866
)
Incoming
(14
R
)-HDoHE (
CHEBI:137346
)
is a
14-HDoHE (
CHEBI:72647
)
(14
S
)-HDoHE (
CHEBI:137347
)
is a
14-HDoHE (
CHEBI:72647
)
14-HDoHE(1−) (
CHEBI:90866
)
is conjugate base of
14-HDoHE (
CHEBI:72647
)
IUPAC Name
(4
Z
,7
Z
,10
Z
,12
E
,16
Z
,19
Z
)-
14-
hydroxydocosa-
4,7,10,12,16,19-
hexaenoic acid
Synonyms
Sources
(+/-)-14-HDoHE
LIPID MAPS
(+/-
)-
14-
hydroxy-
4
Z
,7
Z
,10
Z
,12
E
,16
Z
,19
Z
-
docosahexaenoic acid
LIPID MAPS
Manual Xref
Database
LMFA04000030
LIPID MAPS
View more database links
Citation
Type
Source
25586183
PubMed citation
Europe PMC
Last Modified
07 June 2017