EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:139324 - coelenterazine dioxetanone

ChEBI IDCHEBI:139324
ChEBI Namecoelenterazine dioxetanone
Stars
DefinitionA member of the class of oxidized luciferins that is obtained via formal oxidative cleavage of Oplophorus luciferin.
Last Modified12 February 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC26H21N3O5
Net Charge0
Average Mass455.470
Monoisotopic Mass455.14812
SMILESO=C1OOC1(Cc1ccc(O)cc1)Nc1ncc(-c2ccc(O)cc2)nc1Cc1ccccc1
InChIInChI=1S/C26H21N3O5/c30-20-10-6-18(7-11-20)15-26(25(32)33-34-26)29-24-22(14-17-4-2-1-3-5-17)28-23(16-27-24)19-8-12-21(31)13-9-19/h1-13,16,30-31H,14-15H2,(H,27,29)
InChIKeyNLLFPPYBCPDOHN-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
oxidising agent  A substance that removes electrons from another reactant in a redox reaction.
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
ChEBI Ontology
Outgoing Relation(s)
coelenterazine dioxetanone (CHEBI:139324) has functional parent Oplophorus luciferin (CHEBI:2311)
coelenterazine dioxetanone (CHEBI:139324) has role oxidized luciferins (CHEBI:25747)
coelenterazine dioxetanone (CHEBI:139324) is a aromatic amine (CHEBI:33860)
coelenterazine dioxetanone (CHEBI:139324) is a organic peroxide (CHEBI:25702)
coelenterazine dioxetanone (CHEBI:139324) is a oxacycle (CHEBI:38104)
coelenterazine dioxetanone (CHEBI:139324) is a polyphenol (CHEBI:26195)
coelenterazine dioxetanone (CHEBI:139324) is a pyrazines (CHEBI:38314)
coelenterazine dioxetanone (CHEBI:139324) is a secondary amino compound (CHEBI:50995)
IUPAC Name 
4-{[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]amino}-4-[(4-hydroxyphenyl)methyl]-1,2-dioxetan-3-one
UniProt Name  Source
coelenterazine dioxetanoneUniProt
Manual XrefsDatabases
Coelenterazin-dioxetanoneMetaCyc
Citations