| Compound-ID | 8145 |
| Common Name | Bilirubin beta-diglucuronide |
| Synonyms |
Bilirubin-bisglucuronoside
|
| InChI |
InChI=1S/C45H52N4O18/c1-7-20-19(6)40(58)49-27(20)14-25-18(5)23(10-12-31(51)65-45-37(57)33(53)35(55)39(67-45)43(62)63)29(47-25)15-28-22(17(4)24(46-28)13-26-16(3)21(8-2)41(59)48-26)9-11-30(50)64-44-36(56)32(52)34(54)38(66-44)42(60)61/h7-8,13-14,32-39,44-47,52-57H,1-2,9-12,15H2,3-6H3,(H,48,59)(H,49,58)(H,60,61)(H,62,63)/b26-13+,27-14+/t32-,33-,34-,35-,36+,37+,38-,39-,44+,45+/m0/s1
|
| SMILES |
C=CC=6C(=O)NC(=Cc5nc(Cc3nc(C=C1NC(=O)C(C)=C1(C=C))c(C)c3(CCC(=O)OC2OC(C(O)=O)C(O)C(O)C2(O)))c(CCC(=O)OC4OC(C(O)=O)C(O)C(O)C4(O))c5(C))C=6(C)
|
| External Links | |
| KEGG-COMPOUND-ID |
C05787
|
| PUBCHEM-ID | 8082 |
| ChEBI-ID |
18392
58471 3100 22873 22871 13899 |
| REACTOME-ID | 159149 |
| METACYC-ID | BILIRUBIN-BISGLUCURONOSIDE |
| METANETX-ID | MNXM730380 |
| BioModels |
18392 |
|
View all entries for compound: Bilirubin beta-diglucuronide |