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oxidized Cypridina luciferin

Properties

Image

Occurences in reactions

MNX_ID

MNXM4071

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₂₁H₂₈N₇O

charge

mass

394.23498

reference

chebi:58059

InChIKey

PSYJEEMZZIZTSR-ZDUSSCGKSA-O

InChI

InChI=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

SMILES

CC[C@H](C)C(=O)Nc1ncc(-c2c[nH]c3ccccc23)nc1CCCNC(N)=[NH2+]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58059 chebi:58059	oxidized Cypridina luciferin amino({3-[6-(1H-indol-3-yl)-3-{[(2S)-2-methylbutanoyl]amino}pyrazin-2-yl]propyl}amino)methaniminium oxidised Cypridina luciferin cation oxidized Cypridina luciferin cation oxidized Cypridina luciferin(1+)
metacyc.compound:OXIDIZED-CYPRIDINA-LUCIFERIN metacycM:OXIDIZED-CYPRIDINA-LUCIFERIN	Cypridina oxyluciferin oxidized Cypridina luciferin
kegg.compound:C03887 keggC:C03887	Oxidized Cypridina luciferin
seed.compound:cpd02420 seedM:cpd02420	Oxidized Cypridina luciferin Cypridina oxyluciferin oxidized Cypridina luciferin oxidized cypridina luciferin
CHEBI:17216 chebi:17216	oxidized Cypridina luciferin 1-(3-{6-(1H-indol-3-yl)-3-[(2S)-2-methylbutanamido]pyrazin-2-yl}propyl)guanidine Oxidized Cypridina luciferin
chebi:14709 chebi:25742 chebi:7827 keggC:M_C03887 seedM:M_cpd02420	secondary/obsolete/fantasy identifier