CHEBI:28115 - methylcobalamin

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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
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Formula C63H91CoN13O14P
Net Charge 0
Average Mass 1344.38230
Monoisotopic Mass 1343.588
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:10090) Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:9606) See: DOI
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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)
IUPAC Name
Coα-[α-(5,6-dimethylbenzimidazolyl)]-Coβ-methylcobamide
Synonyms Sources
CO-METHYLCOBALAMIN PDBeChem
MeCbl CBN
mecobalamin ChEBI
methyl(III)cobalamin UniProt
Methylcobalamin KEGG COMPOUND
methylcobalamin CBN
Database Links 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
27 January 2016