Showing Metabocard for dihydro-heme d1 (BASm0009574)
| Common Name | Dihydro-heme d1 |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C34H28FeN4O10 |
| Average Mass | 708.46300 |
| Monoisotopic Mass | 708.11767 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | CC1=C(CCC(=O)[O-])C2=Cc3c(CCC(=O)[O-])c(C)c4n3[Fe-2]35N6C(=CC1=[N+]23)C(=O)[C@](C)(CC(=O)[O-])C6=CC1=[N+]5C(=C4)[C@@](C)(CC(=O)[O-])C1=O |
| InChI Identifier | InChI=1S/C34H34N4O10.Fe/c1-15-17(5-7-27(39)40)21-10-22-18(6-8-28(41)42)16(2)20(36-22)11-25-33(3,13-29(43)44)32(48)24(38-25)12-26-34(4,14-30(45)46)31(47)23(37-26)9-19(15)35-21;/h9-12H,5-8,13-14H2,1-4H3,(H6,35,36,37,38,39,40,41,42,43,44,45,46,47,48);/q;+2/p-6/t33-,34-;/m1./s1 |
| InChI Key | XLQCGNUTSJTZNF-YDXXJHAFSA-H |
| CHEBI ID | CHEBI:140498 |
| MiMeDB ID | MMDBc0055919 |
| 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 |