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CHEBI:58006 - Cypridina luciferin(1+)

ChEBI IDCHEBI:58006
ChEBI NameCypridina luciferin(1+)
Stars
ASCII NameCypridina luciferin(1+)
DefinitionConjugate acid of Cypridina luciferin; major species at pH 7.3.
Last Modified9 July 2015
DownloadsMolfile
FormulaC22H28N7O
Net Charge+1
Average Mass406.514
Monoisotopic Mass406.23498
SMILES[H][C@](C)(CC)c1nc2c(CCCNC(N)=[NH2+])nc(-c3cnc4ccccc34)cn-2c1=O
InChIInChI=1S/C22H27N7O/c1-3-13(2)19-21(30)29-12-18(15-11-26-16-8-5-4-7-14(15)16)27-17(20(29)28-19)9-6-10-25-22(23)24/h4-5,7-8,11-13,26-27H,3,6,9-10H2,1-2H3,(H4,23,24,25)/p+1/t13-/m0/s1
InChIKeyZWPWSXGBDMGKKS-ZDUSSCGKSA-O
ChEBI Ontology
Outgoing Relation(s)
Cypridina luciferin(1+) (CHEBI:58006) is a guanidinium ion (CHEBI:60251)
Cypridina luciferin(1+) (CHEBI:58006) is conjugate acid of Cypridina luciferin (CHEBI:17073)
Incoming Relation(s)
Cypridina luciferin (CHEBI:17073) is conjugate base of Cypridina luciferin(1+) (CHEBI:58006)
IUPAC Name 
1-(3-{6-(1H-indol-3-yl)-2-[(2S)-butan-2-yl]-3-oxo-3,7-dihydroimidazo[1,2-a]pyrazin-8-yl}propyl)guanidinium
Synonym  Source
Cypridina luciferin cationChEBI
UniProt Name  Source
Cypridina luciferinUniProt