Showing Metabocard for (4E,15E)-bilirubin IXalpha C8-beta-D-glucuronoside (BASm0002947)
| Common Name | (4e,15e)-bilirubin ixalpha c8-beta-d-glucuronoside |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C39H44N4O12 |
| Average Mass | 760.78630 |
| Monoisotopic Mass | 760.29557 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | C=CC1=C(C)/C(=C\c2[nH]c(Cc3[nH]c(/C=C4/NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)c(CCC(=O)[O-])c2C)NC1=O |
| InChI Identifier | InChI=1S/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 |
| InChI Key | ARBDURHEPGRPSR-JTCNQIQHSA-N |
| CHEBI ID | CHEBI:57767 |
| MiMeDB ID | MMDBc0049595 |
| State | Expected Solid |
| Water Solubility | Not Available |
| logS | Not Available |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | Not Available |
| Polarizability | Not Available |