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:72783 - 12-HHTrE
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
12-HHTrE
ChEBI ID
CHEBI:72783
Definition
A trienoic fatty acid that consists of heptadeca-5,8,10-trienoic acid bearing an additional 12-hydroxy substituent.
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
Formula
C17H28O3
Net Charge
0
Average Mass
280.40240
Monoisotopic Mass
280.20384
InChI
InChI=1S/C17H28O3/c1-
2-
3-
10-
13-
16(18)
14-
11-
8-
6-
4-
5-
7-
9-
12-
15-
17(19)
20/h5-
8,11,14,16,18H,2-
4,9-
10,12-
13,15H2,1H3,(H,19,20)
/b7-
5+,8-
6+,14-
11+
InChIKey
KUKJHGXXZWHSBG-GMPNNLDHSA-N
SMILES
CCCCCC(O)\C=C\C=C\C\C=C\CCCC(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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
12-HHTrE (
CHEBI:72783
)
has functional parent
heptadecanoic acid (
CHEBI:32365
)
12-HHTrE (
CHEBI:72783
)
has role
metabolite (
CHEBI:25212
)
12-HHTrE (
CHEBI:72783
)
is a
hydroxy polyunsaturated fatty acid (
CHEBI:140345
)
12-HHTrE (
CHEBI:72783
)
is a
long-chain fatty acid (
CHEBI:15904
)
12-HHTrE (
CHEBI:72783
)
is a
trienoic fatty acid (
CHEBI:73155
)
Incoming
12
S
-HHTrE (
CHEBI:63977
)
is a
12-HHTrE (
CHEBI:72783
)
IUPAC Name
12-hydroxyheptadeca-5,8,10-trienoic acid
Synonyms
Sources
12-HHT
ChEBI
12-hydroxy-5,8,10-heptadecatrienoic acid
LIPID MAPS
Manual Xref
Database
LMFA01050195
LIPID MAPS
View more database links
Registry Number
Type
Source
50683-78-8
CAS Registry Number
ChemIDplus
Last Modified
05 March 2018