CHEBI:28911 - cob(III)alamin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cob(III)alamin
ChEBI ID CHEBI:28911
ChEBI ASCII Name cob(III)alamin
Definition A cobalamin in which the central cobalt atom has an oxidation state of +3.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:23332, CHEBI:10006
Supplier Information ChemicalBook:CB8309112, eMolecules:477080, ZINC000000157526
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Formula C62H88CoN13O14P
Net Charge +1
Average Mass 1329.34780
Monoisotopic Mass 1328.56378
InChI InChI=1S/C62H90N13O14P.Co/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);/q;+3/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;/m1./s1
InChIKey NSLAUEAQDBERRV-DSRCUDDDSA-L
SMILES [H][C@]12[C@H](CC(N)=O)[C@@]3(C)CCC(=O)NC[C@@H](C)OP([O-])(=O)O[C@H]4[C@@H](O)[C@H](O[C@@H]4CO)n4c[n+](c5cc(C)c(C)cc45)[Co--]456N1C3=C(C)C1=[N+]4C(=CC3=[N+]5C(=C(C)C4=[N+]6[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
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).
(via cobalamin )
(via corrinoid )
prosthetic group
A tightly bound, specific nonpolypeptide unit in a protein determining and involved in its biological activity.
(via cobalamin )
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 )
Application(s): 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.
(via B vitamin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cob(III)alamin (CHEBI:28911) has role mouse metabolite (CHEBI:75771)
cob(III)alamin (CHEBI:28911) is a cobalamin (CHEBI:30411)
IUPAC Name
cob(III)alamin
Synonyms Sources
α-(5,6-dimethylbenzimidazolyl)cobamide CBN
Cbl CBN
cob(III)alamin UniProt
Cob(III)alamin KEGG COMPOUND
Cobalamin (III) KEGG COMPOUND
cobalamin(1+) ChemIDplus
cobalamin(III) ChEBI
Manual Xrefs Databases
C05776 KEGG COMPOUND
D00191 KEGG DRUG
MOL000035 COMe
View more database links
Registry Numbers Types Sources
13408-78-1 CAS Registry Number ChemIDplus
2291945 Gmelin Registry Number Gmelin
Last Modified
27 January 2016