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CHEBI:58229 - Watasenia luciferin(2−)

ChEBI IDCHEBI:58229
ChEBI NameWatasenia luciferin(2−)
Stars
ASCII NameWatasenia luciferin(2-)
DefinitionA doubly-charged organosulfate oxoanion arising from deprotonation of both sulfo groups of Watasenia luciferin; major species at pH 7.3.
Last Modified12 February 2018
DownloadsMolfile
FormulaC26H19N3O9S2
Net Charge-2
Average Mass581.584
Monoisotopic Mass581.05737
SMILESO=c1c(Cc2ccc(OS(=O)(=O)[O-])cc2)nc2c(Cc3ccccc3)nc(-c3ccc(OS(=O)(=O)[O-])cc3)cn1-2
InChIInChI=1S/C26H21N3O9S2/c30-26-23(15-18-6-10-20(11-7-18)37-39(31,32)33)28-25-22(14-17-4-2-1-3-5-17)27-24(16-29(25)26)19-8-12-21(13-9-19)38-40(34,35)36/h1-13,16,27H,14-15H2,(H,31,32,33)(H,34,35,36)/p-2
InChIKeyPTGHKNQEZNRQKY-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
Watasenia luciferin(2−) (CHEBI:58229) is a aryl sulfate oxoanion (CHEBI:139371)
Watasenia luciferin(2−) (CHEBI:58229) is conjugate base of Watasenia luciferin (CHEBI:17675)
Incoming Relation(s)
Watasenia luciferin (CHEBI:17675) is conjugate acid of Watasenia luciferin(2−) (CHEBI:58229)
IUPAC Name 
4-{8-benzyl-3-oxo-2-[4-(sulfonatooxy)benzyl]-3,7-dihydroimidazo[1,2-a]pyrazin-6-yl}phenyl sulfate
Synonym  Source
Watasenia luciferin dianionChEBI
UniProt Name  Source
Watasenia luciferinUniProt