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CHEBI:27786 - hydroxocobalamin

Default Structure
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
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:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
antidote  Any protective agent counteracting or neutralizing the action of poisons.
ophthalmology drug  Any compound used for the treatment of eye conditions or eye diseases.
anti-anaemic agent  A compound which increases either the number of red cells or the amount of haemoglobin in the blood.
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
antidote to cyanide poisoning  A role borne by a molecule that acts to counteract or neutralize the deleterious effects of cyanide.
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 anti-inflammatory agent (CHEBI:67079)
hydroxocobalamin (CHEBI:27786) has role antidote (CHEBI:50247)
hydroxocobalamin (CHEBI:27786) has role antidote to cyanide poisoning (CHEBI:90749)
hydroxocobalamin (CHEBI:27786) has role antineoplastic agent (CHEBI:35610)
hydroxocobalamin (CHEBI:27786) has role ophthalmology drug (CHEBI:66981)
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
hidroxocobalaminaWHO MedNet
hydroxocobalaminWHO MedNet
hydroxocobalamineWHO MedNet
hydroxocobalaminumWHO MedNet
Synonyms  Source
Hydroxocobalamin acetateChEMBL
Hydroxocobalamin anhydrousChEMBL
Hydroxocobalaminum anhydrousChEMBL
HydroxocobemineChEMBL
HydroxycobalaminKEGG COMPOUND
HydroxycobalaminKEGG COMPOUND
Brand Names  Source
AlphaRedisolKEGG DRUG
Cobalin-hChEMBL
CyanokitKEGG DRUG
HepavitChEMBL
MegamilbedoceChEMBL
Neo-cytamenChEMBL
Manual XrefsDatabases
28534326ChemSpider
C00050467KNApSAcK
C08230KEGG COMPOUND
CPD0-1256MetaCyc
D01027KEGG DRUG
DB00200DrugBank
FDB003166FooDB
HMDB0002308HMDB
HydroxocobalaminWikipedia
Registry NumbersSources
Gmelin:5723Gmelin
CAS:13422-51-0KEGG COMPOUND
CAS:13422-51-0ChemIDplus
Citations