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CHEBI:28956 - cobinamide
| Formula | C48H72CoN11O8 |
| Net Charge | 0 |
| Average Mass | 990.106 |
| Monoisotopic Mass | 989.48973 |
| SMILES | [H][C@@]12[C@H](CC(N)=O)[C@@](C)(CCC(=O)NC[C@@H](C)O)C3=C(C)C4=[N+]5C(=CC6=[N+]7C(=C(C)C8=[N+]([C@]1(C)[C@@](C)(CC(N)=O)[C@@H]8CCC(N)=O)[Co-3]57[N]32)[C@@](C)(CC(N)=O)[C@@H]6CCC(N)=O)C(C)(C)[C@@H]4CCC(N)=O |
| InChI | InChI=1S/C48H73N11O8.Co/c1-23(60)22-55-38(67)16-17-45(6)29(18-35(52)64)43-48(9)47(8,21-37(54)66)28(12-15-34(51)63)40(59-48)25(3)42-46(7,20-36(53)65)26(10-13-32(49)61)30(56-42)19-31-44(4,5)27(11-14-33(50)62)39(57-31)24(2)41(45)58-43;/h19,23,26-29,43,60H,10-18,20-22H2,1-9H3,(H14,49,50,51,52,53,54,55,56,57,58,59,61,62,63,64,65,66,67);/q;+1/p-1/t23-,26-,27-,28-,29+,43-,45-,46+,47+,48+;/m1./s1 |
| InChIKey | XQRJFEVDQXEIAX-JFYQDRLCSA-M |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Escherichia coli (ncbitaxon:562) | - | PubMed (21988831) | |
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| Biological Roles: | Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). cofactor An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| cobinamide (CHEBI:28956) has role Escherichia coli metabolite (CHEBI:76971) |
| cobinamide (CHEBI:28956) has role mouse metabolite (CHEBI:75771) |
| cobinamide (CHEBI:28956) is a cobalt-corrinoid hexaamide (CHEBI:23390) |
| Incoming Relation(s) |
| adenosylcobinamide (CHEBI:2480) has functional parent cobinamide (CHEBI:28956) |
| adenosylcobinamide phosphate (CHEBI:2481) has functional parent cobinamide (CHEBI:28956) |
| Synonyms | Source |
|---|---|
| Cobinamide | KEGG COMPOUND |
| cobinamide | IUBMB |
| Cbi | IUBMB |
| Cobinamid | ChEBI |
| Cob(I)inamide | KEGG COMPOUND |
| UniProt Name | Source |
|---|---|
| cob(I)inamide | UniProt |
| Manual Xrefs | Databases |
|---|---|
| C05774 | KEGG COMPOUND |
| CBY | PDBeChem |
| FDB024149 | FooDB |
| HMDB0006902 | HMDB |
| COBINAMIDE | MetaCyc |
| Registry Numbers | Sources |
|---|---|
| Beilstein:4122727 | Beilstein |
| Gmelin:1018261 | Gmelin |
| Gmelin:472633 | Gmelin |
| CAS:13497-85-3 | ChemIDplus |