Preferred Name |
hydroxocobalamin |
|
Synonyms |
Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-hydroxocobamide vitamin B-12b OH-Cbl AlphaRedisol hidroxocobalamina Hydroxycobalamin hydroxocobalamine hydroxocobalaminum hydroxocobalamin Cyanokit |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_27786 |
|
charge |
0 |
|
database_cross_reference |
PMID:33692053 KNApSAcK:C00050467 PMID:31864779 PMID:34023033 DrugBank:DB00200 PMID:9102519 PMID:33912838 KEGG:D01027 PMID:20352539 KEGG:C08230 PMID:33246585 PMID:15815367 PMID:33283331 PMID:11830394 PMID:33754111 PMID:33005568 PMID:33224611 PMID:8440794 PMID:32815652 PMID:8857117 HMDB:HMDB0002308 FooDB:FDB003166 PMID:33444605 PMID:31000316 Wikipedia:Hydroxocobalamin PMID:8012169 MetaCyc:CPD0-1256 PMID:34176677 PMID:32718732 PMID:7802338 CAS:13422-51-0 Chemspider:28534326 Gmelin:5723 |
|
formula |
C62H89CoN13O15P |
|
has exact synonym |
Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-hydroxocobamide |
|
has role | ||
has_alternative_id |
CHEBI:5803 CHEBI:24652 CHEBI:5795 |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
vitamin B-12b OH-Cbl AlphaRedisol hidroxocobalamina Hydroxycobalamin hydroxocobalamine hydroxocobalaminum hydroxocobalamin Cyanokit |
|
id |
CHEBI:27786 |
|
in_subset | ||
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 |
|
is conjugate base of | ||
label |
hydroxocobalamin |
|
mass |
1346.35510 |
|
monoisotopicmass |
1345.56706 |
|
notation |
CHEBI:27786 |
|
prefLabel |
hydroxocobalamin |
|
smiles |
[H]O[Co-3]1234N5C6=C(C)C7=[N+]1C(=CC1=[N+]2C(=C(C)C2=[N+]3[C@@](C)([C@@]5([H])[C@H](CC(N)=O)[C@@]6(C)CCC(=O)NC[C@@H](C)OP([O-])(=O)O[C@H]3[C@@H](O)[C@H](O[C@@H]3CO)n3c[n+]4c4cc(C)c(C)cc34)[C@@](C)(CC(N)=O)[C@@H]2CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]1CCC(N)=O)C(C)(C)[C@@H]7CCC(N)=O |
|
subClassOf |