Luciferyl sulfate

Molecular Formula: C26H21N3O6S


InChI: InChI=1/C26H21N3O6S/c30-20-10-6-18(7-11-20)15-23-26(35-36(32,33)34)29-16-24(19-8-12-21(31)13-9-19)27-22(25(29)28-23)14-17-4-2-1-3-5-17/h1-13,16,30-31H,14-15H2,(H,32,33,34)/f/h32H

InChIKey: InChIKey=NTQLECRCPRBASZ-OKPOJWAQCN
SMILES: C1=CC=C(C=C1)CC2=NC(=CN3C2=NC(=C3OS(=O)(=O)O)CC4=CC=C(C=C4)O)C5=CC=C(C=C5)O

Names:
    CHEBI:17706
    luciferyl hydrogen sulfate
    Luciferyl sulfate
    5-benzyl-3-(4-hydroxyphenyl)-8-[(4-hydroxyphenyl)methyl]-9-sulfooxy-1,4,7-triazabicyclo[4.3.0]nona-2,4,6,8-tetraene
    8-benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl hydrogen sulfate

Registries:
    PubChem CID 439753
    PubChem ID 8144042