Showing Metabocard for cob(II)yrinate a,c diamide (BASm0003536)
| Common Name | Cob(ii)yrinate a,c diamide |
|---|---|
| Description | L-Histidyl-tRNA(His) is an intermediate in aminoacyl-tRNA biosynthesis in E.coli. It is a product for the enzyme histidyl tRNA synthetase which catalyzes the reaction a tRNAhis + L-histidine -> an L-histidyl-[tRNAhis] (KEGG compound: C02988). |
| Structure | |
| Molecular Formula | C45H61CoN6O12 |
| Average Mass | 936.94600 |
| Monoisotopic Mass | 936.36739 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | CC1=C2N3[C@H]([C@H](CC(=O)[O-])[C@@]2(C)CCC(=O)[O-])[C@]2(C)[N+]4=C(C(C)=C5[N+]6=C(C=C7[N+](=C1[C@@H](CCC(=O)[O-])C7(C)C)[Co-2]364)[C@@H](CCC(=O)[O-])[C@]5(C)CC(N)=O)[C@@H](CCC(=O)[O-])[C@]2(C)CC(N)=O |
| InChI Identifier | InChI=1S/C45H62N6O12.Co/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H10,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+2/p-1 |
| InChI Key | IADMSJRJSGLGJI-UHFFFAOYSA-M |
| CHEBI ID | CHEBI:58537 |
| 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 | Not Available |
| Polarizability | Not Available |