Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:72651 - 9-HODE
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
9-HODE
ChEBI ID
CHEBI:72651
Definition
A HODE that consists of (10
E
,12
Z
)-octadecadienoic acid with the hydroxy substituent located at position 9.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
Formula
C18H32O3
Net Charge
0
Average Mass
296.44490
Monoisotopic Mass
296.23514
InChI
InChI=1S/C18H32O3/c1-
2-
3-
4-
5-
6-
8-
11-
14-
17(19)
15-
12-
9-
7-
10-
13-
16-
18(20)
21/h6,8,11,14,17,19H,2-
5,7,9-
10,12-
13,15-
16H2,1H3,(H,20,21)
/b8-
6-
,14-
11+
InChIKey
NPDSHTNEKLQQIJ-ZJHFMPGASA-N
SMILES
CCCCC\C=C/C=C/C(O)CCCCCCCC(O)=O
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
See:
MetaboLights Study
Valeriana fauriei
(NCBI:txid105907)
from ethanolic extract See:
PubMed
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):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
9-HODE (
CHEBI:72651
)
has role
human metabolite (
CHEBI:77746
)
9-HODE (
CHEBI:72651
)
has role
mouse metabolite (
CHEBI:75771
)
9-HODE (
CHEBI:72651
)
has role
plant metabolite (
CHEBI:76924
)
9-HODE (
CHEBI:72651
)
is a
HODE (
CHEBI:36328
)
9-HODE (
CHEBI:72651
)
is conjugate acid of
9-HODE(1−) (
CHEBI:133820
)
Incoming
9-oxo-ODE (
CHEBI:72842
)
has functional parent
9-HODE (
CHEBI:72651
)
9(
R
)-HODE (
CHEBI:78730
)
is a
9-HODE (
CHEBI:72651
)
9(
S
)-HODE (
CHEBI:34496
)
is a
9-HODE (
CHEBI:72651
)
9-HODE(1−) (
CHEBI:133820
)
is conjugate base of
9-HODE (
CHEBI:72651
)
IUPAC Name
(10
E
,12
Z
)-9-hydroxyoctadeca-10,12-dienoic acid
Synonyms
Sources
(10
E
,12
Z
)-9-HODE
ChEBI
9-hydroxy-10
E
,12
Z
-octadecadienoic acid
LIPID MAPS
9-hydroxy-
trans
-10,
cis
-12-octadecadienoic acid
LIPID MAPS
Manual Xref
Database
LMFA02000151
LIPID MAPS
View more database links
Registry Number
Type
Source
1914445
Reaxys Registry Number
Reaxys
Citations
Types
Sources
22790953
PubMed citation
Europe PMC
24760997
PubMed citation
Europe PMC
Last Modified
01 March 2017