loading...| Preferred Name |
vitamin B12 |
|
| Synonyms |
cyanocob(III)alamin Cyanocob(III)alamin Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-cyanocobamide CO-CYANOCOBALAMIN vitamin B-12 Vitamin B12 complex cyanocobalamin CN-Cbl Dicopac |
|
| Definitions |
A complex cob(III)alamin in which cobalt is positioned in the centre of a planar corrin tetrapyrrole ring and bound axially to a 5,6-dimethylbenzimidazole moiety and a cyano group. It is one of several forms of the vitamin known as vitamin B12. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_17439 |
|
| charge |
0 |
|
| database_cross_reference |
KNApSAcK:C00001534 PMID:29286160 Gmelin:249901 DrugBank:DB00115 CAS:68-19-9 PDBeChem:CNC Gmelin:457955 KEGG:D00166 KEGG:C02823 |
|
| definition |
A complex cob(III)alamin in which cobalt is positioned in the centre of a planar corrin tetrapyrrole ring and bound axially to a 5,6-dimethylbenzimidazole moiety and a cyano group. It is one of several forms of the vitamin known as vitamin B12. |
|
| formula |
C63H88CoN14O14P |
|
| has_alternative_id |
CHEBI:48820 CHEBI:23435 CHEBI:60496 CHEBI:14041 CHEBI:3979 |
|
| has_exact_synonym |
cyanocob(III)alamin Cyanocob(III)alamin Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-cyanocobamide |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
CO-CYANOCOBALAMIN vitamin B-12 Vitamin B12 complex cyanocobalamin CN-Cbl Dicopac |
|
| has_RxCUI |
11248 |
|
| id |
CHEBI:17439 |
|
| in_subset | ||
| inchi |
InChI=1S/C62H90N13O14P.CN.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;1-2;/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);;/q;;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1 |
|
| inchikey |
RMRCNWBMXRMIRW-WZHZPDAFSA-L |
|
| label |
cyanocob(III)alamin Vitamin B 12 vitamin B12 |
|
| mass |
1355.36520 |
|
| monoisotopicmass |
1354.56740 |
|
| notation |
CHEBI:17439 |
|
| prefLabel |
vitamin B12 |
|
| smiles |
[H][C@@]1(C)CNC(=O)CC[C@]2(C)[C@@H](CC(N)=O)[C@@]3([H])N4C2=C(C)C2=[N+]5C(=CC6=[N+]7C(=C(C)C8=[N+]([C@]3(C)[C@@](C)(CC(N)=O)[C@@H]8CCC(N)=O)[Co-3]457(C#N)[n+]3cn([C@H]4O[C@H](CO)[C@@H](OP([O-])(=O)O1)[C@H]4O)c1cc(C)c(C)cc31)[C@@](C)(CC(N)=O)[C@@H]6CCC(N)=O)C(C)(C)[C@@H]2CCC(N)=O |
|
| subClassOf |