CHEBI:27786 - hydroxocobalamin

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ChEBI Name hydroxocobalamin
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:5795, CHEBI:5803, CHEBI:24652
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Formula C62H89CoN13O15P
Net Charge 0
Average Mass 1346.35510
Monoisotopic Mass 1345.56706
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
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
Roles Classification
Biological Role(s): 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.
(via B vitamin )
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).
(via corrinoid )
Application(s): anti-anaemic agent
A compound which increases either the number of red cells or the amount of haemoglobin in the blood.
antidote to cyanide poisoning
A role borne by a molecule that acts to counteract or neutralize the deleterious effects of cyanide.
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.
(via B vitamin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing hydroxocobalamin (CHEBI:27786) has role anti-anaemic agent (CHEBI:75835)
hydroxocobalamin (CHEBI:27786) has role antidote to cyanide poisoning (CHEBI:90749)
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)
INNs Sources
hidroxocobalamina WHO MedNet
hydroxocobalamin WHO MedNet
hydroxocobalamine WHO MedNet
hydroxocobalaminum WHO MedNet
Synonyms Sources
Hydroxycobalamin KEGG COMPOUND
Hydroxycobalamin KEGG COMPOUND
vitamin B-12b CBN
Brand Names Sources
AlphaRedisol KEGG DRUG
Cyanokit KEGG DRUG
Manual Xrefs Databases
28534326 ChemSpider
C00050467 KNApSAcK
CPD0-1256 MetaCyc
DB00200 DrugBank
FDB003166 FooDB
HMDB0002308 HMDB
Hydroxocobalamin Wikipedia
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
Citations Waiting for Citations Types Sources
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Last Modified
26 July 2021