CHEBI:27786 - hydroxocobalamin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name hydroxocobalamin
ChEBI ID CHEBI:27786
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:5795, CHEBI:5803, CHEBI:24652
Supplier Information
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Formula C62H89CoN13O15P
Net Charge 0
Average Mass 1346.35510
Monoisotopic Mass 1345.567
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
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
ChEBI Ontology
Outgoing hydroxocobalamin (CHEBI:27786) is a cobalamins (CHEBI:23334)
hydroxocobalamin (CHEBI:27786) is conjugate base of aquacob(III)alamin (CHEBI:15852)
Incoming aquacob(III)alamin (CHEBI:15852) is conjugate acid of hydroxocobalamin (CHEBI:27786)
IUPAC Name
Coα-[α-(5,6-dimethylbenzimidazolyl)]-Coβ-hydroxocobamide
Synonyms Sources
Hydroxocobalamin KEGG COMPOUND
hydroxocobalamin CBN
Hydroxycobalamin KEGG COMPOUND
Hydroxycobalamin KEGG COMPOUND
OH-Cbl CBN
vitamin B-12b CBN
Database Links Databases
C08230 KEGG COMPOUND
D01027 KEGG DRUG
DB00200 DrugBank
View more database links
Registry Numbers Types Sources
13422-51-0 CAS Registry Number KEGG COMPOUND
13422-51-0 CAS Registry Number ChemIDplus
5723 Gmelin Registry Number Gmelin
Last Modified
04 August 2014