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ChEBI
> Main
CHEBI:72624 - 4-HDoHE
Main
ChEBI Ontology
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ChEBI Name
4-HDoHE
ChEBI ID
CHEBI:72624
Definition
A hydroxydocosahexaenoic acid that consists of 5
E
,7
Z
,10
Z
,13
Z
,16
Z
,19
Z
-docosahexaenoic acid bearing an additional 4-hydroxy substituent.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C22H32O3
Net Charge
0
Average Mass
344.48770
Monoisotopic Mass
344.23514
InChI
InChI=1S/C22H32O3/c1-
2-
3-
4-
5-
6-
7-
8-
9-
10-
11-
12-
13-
14-
15-
16-
17-
18-
21(23)
19-
20-
22(24)
25/h3-
4,6-
7,9-
10,12-
13,15-
18,21,23H,2,5,8,11,14,19-
20H2,1H3,(H,24,25)
/b4-
3-
,7-
6-
,10-
9-
,13-
12-
,16-
15-
,18-
17+
InChIKey
IFRKCNPQVIJFAQ-PQVBWYSWSA-N
SMILES
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C=C/C(O)CCC(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
hydroxydocosahexaenoic acid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
4-HDoHE (
CHEBI:72624
)
has role
metabolite (
CHEBI:25212
)
4-HDoHE (
CHEBI:72624
)
is a
hydroxydocosahexaenoic acid (
CHEBI:72790
)
IUPAC Name
(5
E
,7
Z
,10
Z
,13
Z
,16
Z
,19
Z
)-
4-
hydroxydocosa-
5,7,10,13,16,19-
hexaenoic acid
Synonyms
Sources
(+/-)-4-HDoHE
LIPID MAPS
(+/-)-4-hydroxy-5
E
,7
Z
,10
Z
,13
Z
,16
Z
,19
Z
-docosahexaenoic acid
LIPID MAPS
Manual Xref
Database
LMFA04000024
LIPID MAPS
View more database links
Registry Number
Type
Source
9801115
Reaxys Registry Number
Reaxys
Last Modified
23 October 2015