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Cypridina luciferin

Properties

Image

Occurences in reactions

MNX_ID

MNXM3958

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₂₂H₂₈N₇O

charge

mass

406.23498

reference

chebi:58006

InChIKey

ZWPWSXGBDMGKKS-ZDUSSCGKSA-O

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

SMILES

CC[C@H](C)c1nc2c(CCCNC(N)=[NH2+])[nH]c(-c3c[nH]c4ccccc34)cn-2c1=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58006 chebi:58006	Cypridina luciferin 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 Cypridina luciferin cation Cypridina luciferin(1+)
metacyc.compound:CYPRIDINA-LUCIFERIN metacycM:CYPRIDINA-LUCIFERIN kegg.compound:C02825 keggC:C02825	Cypridina luciferin
CHEBI:17073 chebi:17073	Cypridina luciferin 1-(3-{2-[(2S)-butan-2-yl]-6-(1H-indol-3-yl)-3-oxo-3,7-dihydroimidazo[1,2-a]pyrazin-8-yl}propyl)guanidine [3-[3,7-dihydro-6-(1H-indol-3-yl)-2-[(S)-1-methyl-6-propyl]-3-oxoimidazo[1,2-a]pyrazin-8-yl]propyl]guanidine cypridinluciferin
seed.compound:cpd01828 seedM:cpd01828	Cypridina luciferin cypridina luciferin
chebi:12419 chebi:20885 chebi:4043 keggC:M_C02825 seedM:M_cpd01828	secondary/obsolete/fantasy identifier