CHEBI:58006 - Cypridina luciferin(1+)

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ChEBI Name Cypridina luciferin(1+)
ChEBI ID CHEBI:58006
ChEBI ASCII Name Cypridina luciferin(1+)
Definition Conjugate acid of Cypridina luciferin; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C22H28N7O
Net Charge +1
Average Mass 406.50400
Monoisotopic Mass 406.23498
InChI InChI=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
InChIKey ZWPWSXGBDMGKKS-ZDUSSCGKSA-O
SMILES [H][C@](C)(CC)c1nc2c(CCCNC(N)=[NH2+])[nH]c(cn2c1=O)-c1c[nH]c2ccccc12
ChEBI Ontology
Outgoing 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 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
Synonyms Sources
Cypridina luciferin UniProt
Cypridina luciferin cation ChEBI
Last Modified
09 July 2015