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CHEBI:27786 - hydroxocobalamin
| Formula | C62H89CoN13O15P |
| Net Charge | 0 |
| Average Mass | 1346.377 |
| Monoisotopic Mass | 1345.56707 |
| SMILES | [H][O][Co-3]1234[N]5C6=C(C)C7=[N+]1C(=CC1=[N+]2C(=C(C)C2=[N+]3[C@](C)([C@@](C)(CC(N)=O)[C@@H]2CCC(N)=O)[C@@]5([H])[C@H](CC(N)=O)[C@@]6(C)CCC(=O)NC[C@@H](C)OP(=O)([O-])O[C@H]2[C@@H](O)[C@H](O[C@@H]2CO)n2c[n+]4c3cc(C)c(C)cc32)[C@@](C)(CC(N)=O)[C@@H]1CCC(N)=O)C(C)(C)[C@@H]7CCC(N)=O |
| InChI | InChI=1S/C62H90N13O14P.Co.H2O/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);;1H2/q;+3;/p-3/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1 |
| InChIKey | YOZNUFWCRFCGIH-WZHZPDAFSA-K |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Biological Roles: | 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). |
| Applications: | antidote to cyanide poisoning A role borne by a molecule that acts to counteract or neutralize the deleterious effects of cyanide. anti-anaemic agent A compound which increases either the number of red cells or the amount of haemoglobin in the blood. 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) |
| hydroxocobalamin (CHEBI:27786) has role anti-anaemic agent (CHEBI:75835) |
| hydroxocobalamin (CHEBI:27786) has role antidote to cyanide poisoning (CHEBI:90749) |
| hydroxocobalamin (CHEBI:27786) is a cobalamins (CHEBI:23334) |
| hydroxocobalamin (CHEBI:27786) is conjugate base of aquacob(III)alamin (CHEBI:15852) |
| Incoming Relation(s) |
| aquacob(III)alamin (CHEBI:15852) is conjugate acid of hydroxocobalamin (CHEBI:27786) |
| IUPAC Name |
|---|
| Coα-[α-(5,6-dimethylbenzimidazolyl)]-Coβ-hydroxocobamide |
| INNs | Source |
|---|---|
| hydroxocobalamine | WHO MedNet |
| hydroxocobalamin | WHO MedNet |
| hydroxocobalaminum | WHO MedNet |
| hidroxocobalamina | WHO MedNet |
| Synonyms | Source |
|---|---|
| Hydroxycobalamin | KEGG COMPOUND |
| vitamin B-12b | IUBMB |
| OH-Cbl | IUBMB |
| Hydroxycobalamin | KEGG COMPOUND |
| Brand Names | Source |
|---|---|
| AlphaRedisol | KEGG DRUG |
| Cyanokit | KEGG DRUG |
| Manual Xrefs | Databases |
|---|---|
| C08230 | KEGG COMPOUND |
| CPD0-1256 | MetaCyc |
| DB00200 | DrugBank |
| D01027 | KEGG DRUG |
| C00050467 | KNApSAcK |
| FDB003166 | FooDB |
| HMDB0002308 | HMDB |
| 28534326 | ChemSpider |
| Hydroxocobalamin | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| Gmelin:5723 | Gmelin |
| CAS:13422-51-0 | KEGG COMPOUND |
| CAS:13422-51-0 | ChemIDplus |
| Citations |
|---|