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CHEBI:27786 - hydroxocobalamin

ChEBI IDCHEBI:27786
ChEBI Namehydroxocobalamin
Stars
Secondary ChEBI IDsCHEBI:5795, CHEBI:5803, CHEBI:24652
Last Modified26 July 2021
DownloadsMolfile

FormulaC62H89CoN13O15P
Net Charge0
Average Mass1346.377
Monoisotopic Mass1345.56707
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
InChIInChI=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
InChIKeyYOZNUFWCRFCGIH-WZHZPDAFSA-K

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
Coα-[α-(5,6-dimethylbenzimidazolyl)]-Coβ-hydroxocobamide
INNs  Source
hydroxocobalamine  frWHO MedNet
hydroxocobalaminWHO MedNet
hydroxocobalaminum  laWHO MedNet
hidroxocobalamina  esWHO MedNet
Synonyms  Source
HydroxycobalaminKEGG COMPOUND
vitamin B-12bIUBMB
OH-CblIUBMB
HydroxycobalaminKEGG COMPOUND
Brand Names  Source
AlphaRedisolKEGG DRUG
CyanokitKEGG DRUG
Manual XrefsDatabases
C08230KEGG COMPOUND
CPD0-1256MetaCyc
DB00200DrugBank
D01027KEGG DRUG
C00050467KNApSAcK
FDB003166FooDB
HMDB0002308HMDB
28534326ChemSpider
HydroxocobalaminWikipedia
Registry NumbersSources
Gmelin:5723Gmelin
CAS:13422-51-0KEGG COMPOUND
CAS:13422-51-0ChemIDplus
Citations