Bilirubin-glucuronoside

Molecular Formula: C₃₉H₄₄N₄O₁₂

InChI: InChI=1/C39H44N4O12/c1-7-20-19(6)36(50)43-27(20)14-25-18(5)23(10-12-31(46)54-39-34(49)32(47)33(48)35(55-39)38(52)53)29(41-25)15-28-22(9-11-30(44)45)17(4)24(40-28)13-26-16(3)21(8-2)37(51)42-26/h7-8,13-14,32-35,39-41,47-49H,1-2,9-12,15H2,3-6H3,(H,42,51)(H,43,50)(H,44,45)(H,52,53)/b26-13-,27-14-/t32-,33-,34+,35-,39+/m0/s1/f/h42-44,52H

InChIKey: InChIKey=ARBDURHEPGRPSR-VLDDXTOCDR
SMILES: CC1=C(NC(=C1CCC(=O)O)CC2=C(C(=C(N2)C=C3C(=C(C(=O)N3)C)C=C)C)CCC(=O)OC4C(C(C(C(O4)C(=O)O)O)O)O)C=C5C(=C(C(=O)N5)C=C)C

Names:
    Bilirubin monoglucuronide
    Bilirubin-glucuronoside
    C03374
    (2S,3S,4S,5R,6S)-6-[3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoyloxy]-3,4,5-trihydroxy-oxane-2-carboxylic acid
    27071-67-6

Registries:
    PubChem CID 5280588
    PubChem ID 6209