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cobamamide

Go to external page http://purl.obolibrary.org/obo/CHEBI_18408

A member of the class of cobalamins that is vitamin B12 in which the cyano group is replaced by a 5'-deoxyadenos-5'-yl moiety. It is one of the two metabolically active form of vitamin B12.

Term info

Label

cobamamide

Synonyms
  • Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-(5'-deoxy-5'-adenosyl)cobamide
  • Cobamamide
database cross reference
Subsets

3_STAR

INN
cobamamida [ ChemIDplus ]

INN
cobamamide [ ChemIDplus ]

IUPAC NAME
Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-(5'-deoxy-5'-adenosyl)cobamide [ IUPAC ]

INN
cobamamidum [ ChemIDplus ]

BRAND NAME
Calomide [ KEGG_DRUG ]

INN
cobamamide [ WHO_MedNet ]

charge

0

formula

C72H100CoN18O17P

has alternative id

CHEBI:23340, CHEBI:13739, CHEBI:3797

has obo namespace

chebi_ontology

has related synonym

cobamide coenzyme, DMBC coenzyme, Coenzyme B12, cobamamid, adenosylcobalamin, coenzyme B-12, alpha-(5,6-Dimethylbenzimidazolyl)cobamide coenzyme, Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-adenosylcobamide, cobamamidum, cobamamide, DBC coenzyme, cobamamida, (5,6-dimethylbenzimidazolyl)cobamide coenzyme, 5'-Deoxy-5'-adenosyl-5,6-dimethylbenzimidazolylcobamide, Vitamin B12 coenzyme, 5,6-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide, Calomide, 5,6-Dimethylbenzimidazolyl-Co-5'-deoxy-5'-adenosylcobamide, 5'-Deoxy-5'-adenosylcobalamin, AdoCbl, adenosylcob(III)alamin, Adenosylcobalamin, Deoxyadenosylcobalamin, Cobalamin coenzyme, Adenosylcob(III)alamin, 5'-deoxyadenosyl-5,6-dimethylbenzimidazolylcobamide, 5'-deoxyadenosyl vitamin B12, 5'-deoxyadenosylcobalamin, Funacomide, (5,6-Dimethylbenzimidazolyl)cobamide coenzyme, Dibencozide, 5'-Deoxy-5'-adenosyl vitamin B12

id

CHEBI:18408

inchi

InChI=1S/C62H90N13O14P.C10H12N5O3.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;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/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);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;4-,6-,7-,10-;/m11./s1

inchikey

ZIHHMGTYZOSFRC-OUCXYWSSSA-L

mass

1579.58180

monoisotopicmass

1578.65834

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](CO)O[C@@H]([C@@H]4O)n4c[n+](c5cc(C)c(C)cc45)[Co-3]456(C[C@H]7O[C@H]([C@H](O)[C@@H]7O)n7cnc8c(N)ncnc78)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