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ChEBI
> Main
CHEBI:90814 - 17(
R
)-HDoHE(1−)
Main
ChEBI Ontology
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ChEBI Name
17(
R
)-HDoHE(1−)
ChEBI ID
CHEBI:90814
ChEBI ASCII Name
17(R)-HDoHE(1-)
Definition
A hydroxy polyunsaturated fatty acid anion that is the conjugate base of 17(
R
)-HDoHE arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Nevila Nouspikel
Supplier Information
Download
Molfile
XML
SDF
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Molfile
Formula
C22H31O3
Net Charge
-1
Average Mass
343.481
Monoisotopic Mass
343.22787
InChI
InChI=1S/C22H32O3/c1-
2-
3-
15-
18-
21(23)
19-
16-
13-
11-
9-
7-
5-
4-
6-
8-
10-
12-
14-
17-
20-
22(24)
25/h3,5-
8,11-
16,19,21,23H,2,4,9-
10,17-
18,20H2,1H3,(H,24,25)
/p-
1/b7-
5-
,8-
6-
,13-
11-
,14-
12-
,15-
3-
,19-
16+/t21-
/m1/s1
InChIKey
SWTYBBUBEPPYCX-NGHKTGSUSA-M
SMILES
C(CC/C=C\C/C=C\C/C=C\C\C=C/C=C/[C@@H](C/C=C\CC)O)(=O)[O-]
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
See:
PubMed
Homo sapiens
(NCBI:txid9606)
See:
PubMed
Roles Classification
Biological Role
(s):
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
17(
R
)-HDoHE(1−) (
CHEBI:90814
)
has role
human xenobiotic metabolite (
CHEBI:76967
)
17(
R
)-HDoHE(1−) (
CHEBI:90814
)
has role
mouse metabolite (
CHEBI:75771
)
17(
R
)-HDoHE(1−) (
CHEBI:90814
)
is a
hydroxy fatty acid anion (
CHEBI:59835
)
17(
R
)-HDoHE(1−) (
CHEBI:90814
)
is a
hydroxydocosahexaenoate (
CHEBI:131867
)
17(
R
)-HDoHE(1−) (
CHEBI:90814
)
is a
long-chain fatty acid anion (
CHEBI:57560
)
17(
R
)-HDoHE(1−) (
CHEBI:90814
)
is a
polyunsaturated fatty acid anion (
CHEBI:76567
)
17(
R
)-HDoHE(1−) (
CHEBI:90814
)
is conjugate base of
17(
R
)-HDoHE (
CHEBI:91137
)
Incoming
17(
R
)-HDoHE (
CHEBI:91137
)
is conjugate acid of
17(
R
)-HDoHE(1−) (
CHEBI:90814
)
IUPAC Name
(4
Z
,7
Z
,10
Z
,13
Z
,15
E
,17
R
,19
Z
)-
17-
hydroxydocosa-
4,7,10,13,15,19-
hexaenoate
Synonyms
Sources
(4
Z
,7
Z
,10
Z
,13
Z
,15
E
,17
R
,19
Z
)-
17-
hydroxydocosahexaenoate
ChEBI
17
R
-HDHA(1−)
SUBMITTER
17
R
-
hydroxy-
(4
Z
,7
Z
,10
Z
,13
Z
,15
E
,19
Z
)-
docosahexaenoate
UniProt
Manual Xref
Database
CPD-17452
MetaCyc
View more database links
Citation
Type
Source
12391014
PubMed citation
SUBMITTER
Last Modified
10 February 2016