(Q27125115)

Cypridina luciferin cation (English)

6 October 2016

chemical formula

C₂₂H₂₈N₇O⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCC(C)C1=NC2=C(NC(=CN2C1=O)C3=CNC4=CC=CC=C43)CCC[NH+]=C(N)N

1 reference

Cypridina luciferin cation (English)

6 October 2016

isomeric SMILES

CC[C@H](C)C1=NC2=C(NC(=CN2C1=O)C3=CNC4=CC=CC=C43)CCC[NH+]=C(N)N

1 reference

Cypridina luciferin cation (English)

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

6 October 2016

Identifiers

InChI

1 reference

Cypridina luciferin cation (English)

ZWPWSXGBDMGKKS-ZDUSSCGKSA-O

6 October 2016

InChIKey

2 references

Cypridina luciferin cation (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

[(3-{2-[(2S)-2-Butanyl]-6-(1H-indol-3-yl)-3-oxo-3,7-dihydroimidazo[1,2-a]pyrazin-8-yl}propyl)amino](imino)methanaminium (English)

6 October 2016

1 reference

Cypridina luciferin cation (English)

6 October 2016

ChEBI ID

58006

mapping relation type

1 reference

Cypridina luciferin(1+) (English)