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:55497 - litreol
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
litreol
ChEBI ID
CHEBI:55497
Definition
Catechol carrying a pentadecenyl substituent at position 3.
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
C21H34O2
Net Charge
0
Average Mass
318.49350
Monoisotopic Mass
318.25588
InChI
InChI=1S/C21H34O2/c1-
2-
3-
4-
5-
6-
7-
8-
9-
10-
11-
12-
13-
14-
16-
19-
17-
15-
18-
20(22)
21(19)
23/h5-
6,15,17-
18,22-
23H,2-
4,7-
14,16H2,1H3/b6-
5-
InChIKey
WXZPKABXYFJVLD-WAYWQWQTSA-N
SMILES
CCCC\C=C/CCCCCCCCCc1cccc(O)c1O
Roles Classification
Biological Role
(s):
allergen
A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
litreol (
CHEBI:55497
)
has role
allergen (
CHEBI:50904
)
litreol (
CHEBI:55497
)
is a
catechols (
CHEBI:33566
)
IUPAC Name
3-[(10
Z
)-pentadec-10-en-1-yl]benzene-1,2-diol
Synonyms
Sources
(Z)-3-(10-Pentadecenyl)-1,2-benzenediol
ChemIDplus
3-(10'
Z
-pentadecenyl)catechol
ChEBI
3-(Pentadec-10-enyl)catechol
ChemIDplus
Registry Numbers
Types
Sources
7816939
Reaxys Registry Number
Reaxys
83532-37-0
CAS Registry Number
ChemIDplus
Citations
Types
Sources
19007765
PubMed citation
Europe PMC
3703987
PubMed citation
Europe PMC
9831807
PubMed citation
Europe PMC
Last Modified
24 November 2014