Showing Metabocard for heme d cis-diol (BASm0004372)
| Common Name | Heme d cis-diol |
|---|---|
| Description | A dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxy groups of heme d cis-diol. |
| Structure | |
| Molecular Formula | C34H32FeN4O6 |
| Average Mass | 648.48600 |
| Monoisotopic Mass | Not Available |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | C=CC1=C(C)C2=[N+]3C1=Cc1c(C)c(C=C)c4n1[Fe-2]31n3c(c(C)c(CCC(=O)[O-])c3=CC3=[N+]1C(=C4)[C@](C)(O)[C@@]3(O)CCC(=O)[O-])=C2 |
| InChI Identifier | InChI=1S/C34H36N4O6.Fe/c1-7-20-17(3)23-13-24-19(5)22(9-10-31(39)40)28(37-24)16-30-34(44,12-11-32(41)42)33(6,43)29(38-30)15-27-21(8-2)18(4)25(36-27)14-26(20)35-23;/h7-8,13-16,43-44H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-4/t33-,34+;/m0./s1 |
| InChI Key | GFRHEDKPMCXPFU-XCVPDAMTSA-J |
| CHEBI ID | CHEBI:62814 |
| State | Not Available |
| 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 | -2 |
| Polarizability | Not Available |