Showing Metabocard for Fe(II)-heme o (BASm0003997)
| Common Name | Fe(ii)-heme o |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C49H56FeN4O5 |
| Average Mass | 836.85600 |
| Monoisotopic Mass | 836.36110 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | C=CC1=C(C)C2=[N+]3C1=Cc1c(C)c(CCC(=O)[O-])c4n1[Fe-2]31n3c(c(C)c([C@@H](O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c3=C2)=CC2=[N+]1C(=C4)C(CCC(=O)[O-])=C2C |
| InChI Identifier | InChI=1S/C49H60N4O5.Fe/c1-10-35-31(6)40-26-45-49(46(54)19-13-18-30(5)17-12-16-29(4)15-11-14-28(2)3)34(9)41(53-45)24-38-32(7)36(20-22-47(55)56)43(51-38)27-44-37(21-23-48(57)58)33(8)39(52-44)25-42(35)50-40;/h10,14,16,18,24-27,46,54H,1,11-13,15,17,19-23H2,2-9H3,(H4,50,51,52,53,55,56,57,58);/q;+2/p-4/b29-16+,30-18+,38-24-,39-25-,40-26-,41-24-,42-25-,43-27-,44-27-,45-26-;/t46-;/m0./s1 |
| InChI Key | FISPASSVCDRERW-ARQJTVBPSA-J |
| CHEBI ID | CHEBI:60530 |
| MiMeDB ID | MMDBc0055975 |
| 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 |