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CHEBI:58059 - oxidized Cypridina luciferin(1+)

ChEBI IDCHEBI:58059
ChEBI Nameoxidized Cypridina luciferin(1+)
Stars
ASCII Nameoxidized Cypridina luciferin(1+)
DefinitionThe conjugate acid of oxidized Cypridina luciferin arising from selective protonation of the guanidino group; major species at pH 7.3.
Last Modified9 July 2015
DownloadsMolfile
FormulaC21H28N7O
Net Charge+1
Average Mass394.503
Monoisotopic Mass394.23498
SMILESCC[C@H](C)C(=O)Nc1ncc(-c2cnc3ccccc23)nc1CCCNC(N)=[NH2+]
InChIInChI=1S/C21H27N7O/c1-3-13(2)20(29)28-19-17(9-6-10-24-21(22)23)27-18(12-26-19)15-11-25-16-8-5-4-7-14(15)16/h4-5,7-8,11-13,25H,3,6,9-10H2,1-2H3,(H4,22,23,24)(H,26,28,29)/p+1/t13-/m0/s1
InChIKeyPSYJEEMZZIZTSR-ZDUSSCGKSA-O
ChEBI Ontology
Outgoing Relation(s)
oxidized Cypridina luciferin(1+) (CHEBI:58059) is a guanidinium ion (CHEBI:60251)
oxidized Cypridina luciferin(1+) (CHEBI:58059) is conjugate acid of oxidized Cypridina luciferin (CHEBI:17216)
Incoming Relation(s)
oxidized Cypridina luciferin (CHEBI:17216) is conjugate base of oxidized Cypridina luciferin(1+) (CHEBI:58059)
IUPAC Name 
amino({3-[6-(1H-indol-3-yl)-3-{[(2S)-2-methylbutanoyl]amino}pyrazin-2-yl]propyl}amino)methaniminium
Synonyms  Source
oxidized Cypridina luciferin cationChEBI
oxidised Cypridina luciferin cationChEBI
oxidized Cypridina luciferin(1+)ChEBI
UniProt Name  Source
oxidized Cypridina luciferinUniProt