urobilin

[1. A uroporphyrin; an acyclic tetrapyrrole that is one of the natural breakdown products of heme via choleglobin, verdohemochrome, biliverdin, bilirubin, and d-urobilinogen; a urinary pigment that gives a varying orange-red coloration to urine according to its degree of oxidation.

InChI: InChI=1/C33H42N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h15,26-27,35H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/f/h36-38,40H

InChIKey: InChIKey=KDCCOOGTVSRCHX-XUJUVXEQCT
SMILES: [H]C(=C1N=C(CC2NC(=O)C(CC)=C2C)C(C)=C1CCC(O)=O)c3[nH]c(CC4NC(=O)C(C)=C4CC)c(C)c3CCC(O)=O

CAS number 1856-98-0

Names:
    I-Urobilin
    urobilin
    3,18-diethyl-1,4,5,15,16,19,22,24-octahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic acid
    3,18-diethyl-1,4,5,15,16,19,22,24-octahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropionic acid
    8,12-bis(2-carboxyethyl)-3,18-diethyl-2,7,13,17-tetramethylbilene-b-1,19(4H,16H)-dione

Registries:
    PubChem CID 5280819
    Beilstein =3027217
    CAS 1856-98-0 (from NIST)
    ChEBI 36378
    Kegg C05794
    PubChem ID 8089