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
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-[(10Z)-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 Waiting for Citations Types Sources
19007765 PubMed citation Europe PMC
3703987 PubMed citation Europe PMC
9831807 PubMed citation Europe PMC
Last Modified
24 November 2014