adenylylcoelenterazine disulfonate

Chemical Formula:

C₃₆H₃₀N₈O₁₅PS₂

Molecular Weight:

909.771 Daltons

Monoisotopic Mass:

912.1244403224001 Daltons

SMILES:

C6(=C(N=C(CC1(C=CC=CC=1))C7(=NC(CC2(=CC=C(C=C2)OS(=O)(=O)[O-]))=C(OP(OCC5(C(C(C(N4(C3(=C(C(=NC=N3)N)N=C4)))O5)O)O))([O-])=O)N67))C8(=CC=C(C=C8)OS(=O)(=O)[O-]))

InChI:

1S/C36H33N8O15PS2/c37-32-29-34(39-18-38-32)44(19-40-29)36-31(46)30(45)28(56-36)17-55-60(47,48)57-35-26(15-21-6-10-23(11-7-21)58-61(49,50)51)42-33-25(14-20-4-2-1-3-5-20)41-27(16-43(33)35)22-8-12-24(13-9-22)59-62(52,53)54/h1-13,16,18-19,28,30-31,36,45-46H,14-15,17H2,(H,47,48)(H2,37,38,39)(H,49,50,51)(H,52,53,54)/p-3/t28-,30-,31-,36-/m1/s1

InChIKey:

PNHDPLVXOCIMIE-RLRJIRQBSA-K

Synonyms

coelenterazine disulfonate adenylate

Databases

MetaCyc: CPD-20237

PubChem (CID): 129320356