Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-17 23:40:39 UTC
Update Date2024-04-30 19:41:50 UTC
Metabolite IDMMDBc0029764
Metabolite Identification
Common NameCob(I)alamin
DescriptionCob(I)alamin is the substrate of the enzyme ATP:cob(I)alamin adenosyltransferase (EC 2.5.1.17), that converts reduced cob(I)alamin to the adenosylcobalamin co-factor required for the functional activity of methylmalonyl-CoA mutase (EC 5.4.99.2). Vitamin B12 (cobalamin) is a complex cobalt-containing molecule. It is synthesized in bacteria where it catalyzes numerous methyl transfer and intramolecular rearrangement reactions.
Structure
Synonyms
ValueSource
Cob(I)alaminChEBI
Molecular FormulaC62H88CoN13O14P
Average Mass1329.3478
Monoisotopic Mass1328.564331295
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry Number18534-66-2
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](C5=CC(C)=C(C)C=C45)[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
InChI Identifier
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;+1/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;/m1./s1
InChI KeyOMAOKVYASDIYQG-DSRCUDDDSA-L