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CHEBI:28115 - methylcobalamin
| Formula | C63H91CoN13O14P |
| Net Charge | 0 |
| Average Mass | 1344.405 |
| Monoisotopic Mass | 1343.58780 |
| SMILES | [H][C@]12[C@H](CC(N)=O)[C@@]3(C)CCC(=O)NC[C@@H](C)OP(=O)([O-])O[C@H]4[C@@H](O)[C@H](O[C@@H]4CO)n4c[n+](c5cc(C)c(C)cc54)[Co-3]456([CH3])[N]1C3=C(C)C1=[N+]4C(=CC3=[N+]5C(=C(C)C4=[N+]6[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O |
| InChI | InChI=1S/C62H90N13O14P.CH3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);1H3;/q;;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1 |
| InChIKey | JEWJRMKHSMTXPP-WZHZPDAFSA-L |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1038/nbt.2488) | |
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| Biological Roles: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). 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). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). water-soluble vitamin (role) Any vitamin that dissolves in water and readily absorbed into tissues for immediate use. Unlike the fat-soluble vitamins, they are not stored in the body and need to be replenished regularly in the diet and will rarely accumulate to toxic levels since they are quickly excreted from the body via urine. 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). |
| Application: | nutraceutical A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| methylcobalamin (CHEBI:28115) has role cofactor (CHEBI:23357) |
| methylcobalamin (CHEBI:28115) has role human metabolite (CHEBI:77746) |
| methylcobalamin (CHEBI:28115) has role mouse metabolite (CHEBI:75771) |
| methylcobalamin (CHEBI:28115) is a cobalamins (CHEBI:23334) |
| methylcobalamin (CHEBI:28115) is a R-cob(III)alamin (CHEBI:140785) |
| IUPAC Name |
|---|
| Coα-[α-(5,6-dimethylbenzimidazolyl)]-Coβ-methylcobamide |
| Synonyms | Source |
|---|---|
| Methylcobalamin | KEGG COMPOUND |
| mecobalamin | ChEBI |
| methylcobalamin | IUBMB |
| MeCbl | IUBMB |
| CO-METHYLCOBALAMIN | PDBeChem |
| UniProt Name | Source |
|---|---|
| methylcob(III)alamin | UniProt |
| Registry Numbers | Sources |
|---|---|
| Gmelin:124528 | Gmelin |
| CAS:13422-55-4 | ChemIDplus |
| CAS:13422-55-4 | KEGG COMPOUND |