δ-staphylobilin

Chemical Formula:

C₃₃H₃₂N₄O₇

Molecular Weight:

596.638 Daltons

Monoisotopic Mass:

598.2427494669 Daltons

SMILES:

C=CC1(C(NC(C(C)=1)=O)=CC4(=C(C)C(=C(C(=O)C3(NC(C=C2(C(CCC([O-])=O)=C(C)C(N2)=O))=C(CCC([O-])=O)C=3C))N4)C=C))

InChI:

1S/C33H34N4O7/c1-7-19-17(5)32(43)36-24(19)13-23-15(3)20(8-2)30(34-23)31(42)29-16(4)21(9-11-27(38)39)25(35-29)14-26-22(10-12-28(40)41)18(6)33(44)37-26/h7-8,13-14,34-35H,1-2,9-12H2,3-6H3,(H,36,43)(H,37,44)(H,38,39)(H,40,41)/p-2/b24-13+,26-14+

InChIKey:

PKYGGJJSPHKEPX-GRMGBYEUSA-L

Synonyms

10-oxo-δ-bilirubin
3,7-bis(2-carboxyethyl)-2,8,12,17-tetramethyl-13,18-divinylbiladiene-ac-1,10,19(21H,24H)-trione

Databases

MetaCyc: CPD-15534

PubChem (CID): 126961125

ChEBI: 74361

MetaNetX: MNXM146354

KEGG: C20666