CHEBI:28115 - methylcobalamin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name methylcobalamin
ChEBI ID CHEBI:28115
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:48831, CHEBI:6869, CHEBI:25291
Supplier Information No supplier information found for this compound.
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Formula C63H91CoN13O14P
Net Charge 0
Average Mass 1344.38230
Monoisotopic Mass 1343.58780
InChI InChI=1S/C62H90N13O14P.CH3.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);1H3;/q;;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1
InChIKey JEWJRMKHSMTXPP-WZHZPDAFSA-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-3]456(C)N1C3=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
Homo sapiens (NCBI:txid9606) See: DOI
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 corrinoid )
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
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 methylcobalamin (CHEBI:28115) has role cofactor (CHEBI:23357)
methylcobalamin (CHEBI:28115) has role human metabolite (CHEBI:77746)
methylcobalamin (CHEBI:28115) has role mouse metabolite (CHEBI:75771)
methylcobalamin (CHEBI:28115) is a cobalamins (CHEBI:23334)
methylcobalamin (CHEBI:28115) is a R-cob(III)alamin (CHEBI:140785)
IUPAC Name
Coα-[α-(5,6-dimethylbenzimidazolyl)]-Coβ-methylcobamide
Synonyms Sources
CO-METHYLCOBALAMIN PDBeChem
MeCbl CBN
mecobalamin ChEBI
methylcob(III)alamin UniProt
Methylcobalamin KEGG COMPOUND
methylcobalamin CBN
Manual Xrefs Databases
C06453 KEGG COMPOUND
COB PDBeChem
D03246 KEGG DRUG
DB03614 DrugBank
MOL000085 COMe
View more database links
Registry Numbers Types Sources
124528 Gmelin Registry Number Gmelin
13422-55-4 CAS Registry Number ChemIDplus
Last Modified
26 July 2021