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CHEBI:57935 - oxidized Watasenia luciferin(2−)

Default Structure
ChEBI IDCHEBI:57935
ChEBI Nameoxidized Watasenia luciferin(2−)
Stars
ASCII Nameoxidized Watasenia luciferin(2-)
DefinitionDianion of oxidized Watasenia luciferin arising from deprotonation of both sulfate OH groups; major species at pH 7.3.
Last Modified12 February 2018
DownloadsMolfile
FormulaC25H19N3O9S2
Net Charge-2
Average Mass569.573
Monoisotopic Mass569.05737
SMILESO=C(Cc1ccc(OS(=O)(=O)[O-])cc1)Nc1ncc(-c2ccc(OS(=O)(=O)[O-])cc2)nc1Cc1ccccc1
InChIInChI=1S/C25H21N3O9S2/c29-24(15-18-6-10-20(11-7-18)36-38(30,31)32)28-25-22(14-17-4-2-1-3-5-17)27-23(16-26-25)19-8-12-21(13-9-19)37-39(33,34)35/h1-13,16H,14-15H2,(H,26,28,29)(H,30,31,32)(H,33,34,35)/p-2
InChIKeyOIGFBCOUXJVZJQ-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
oxidized Watasenia luciferin(2−) (CHEBI:57935) is a aryl sulfate oxoanion (CHEBI:139371)
oxidized Watasenia luciferin(2−) (CHEBI:57935) is conjugate base of oxidized Watasenia luciferin (CHEBI:16877)
Incoming Relation(s)
oxidized Watasenia luciferin (CHEBI:16877) is conjugate acid of oxidized Watasenia luciferin(2−) (CHEBI:57935)
IUPAC Name 
4-(6-benzyl-5-{[4-(sulfonatooxy)phenyl]acetamido}pyrazin-2-yl)phenyl sulfate
Synonyms  Source
oxidised Watasenia luciferin(2−)ChEBI
oxidised Watasenia luciferin dianionChEBI
oxidized Watasenia luciferin dianionChEBI
UniProt Name  Source
oxidized Watasenia luciferinUniProt
Manual XrefsDatabases
OXIDIZED-WATASEMIA-LUCIFERINMetaCyc