| CAS Number | 13870-90-1 |
| Catalog Number | AG01CB8H(AGN-PC-0PN743) |
| Chemical Name | 5,6-Dimethylbenzimidazolyl-Co-5'-deoxyadenosylcobamide |
| EC Number | 237-627-6 |
| IUPAC Name | (2S,3S,4R,5R)-2-(6-aminopurin-9-yl)-5-methanidyloxolane-3,4-diol;cobalt(3+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl] phosphate |
| 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;-1;+3/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;4-,6+,7+,10+;/m11./s1 |
| InChI Key | OAJLVMGLJZXSGX-SLAFOUTOSA-L |
| MDL Number | MFCD00135609 |
| Molecular Formula | C72H99CoN18O17P |
| Molecular Weight | 1578.5738 |
| SMILES | NC(CCC1C2=[N]3C([C-]4C(CC(N)=O)C(CCC(NCC(O5)C)=O)(C)C([N-]4[Co+3]367(CC8([H])OC(N9C(N=CN=C%10N)=C%10N=C9)([H])C(O)([H])C8([H])O)[N]%11=CN(C%12=C%11C=C(C)C(C)=C%12)C(OC%13CO)C(O)C%13OP5([O-])=O)=C(C)C(C(CCC(N)=O)C%14(C)C)=[N]6C%14=CC(C(CCC(N)=O)C%15(CC(N)=O)C)=[N]7C%15=C2C)(C)C1(CC(N)=O)C)=O |
| Synonyms | 3',4'-anhydroadenosylcobalamin,
5'-deoxyadenosylcobalamin,
adenosylcobalamin,
AdoCbl,
cobamamide,
coenzyme B12,
desoxyadenosylcobalamine,
dibencozide,
Indusil T,
vitamin B12 coenzyme,
Cobamamide,
coenzyme B12,
5'-Deoxyadenosylcobalamine,
MFCD00135609,
Calomide,
13870-90-1,
Vitamin B12 coenzyme,
DMBC coenzyme,
Adenosyl cobalamine,
C72H100CoN18O17P,
AKOS025311252,
dibenzcozamide,
Cobamamida,
Cobamamidum,
Dibencozide,
Funacomide,
dimebenzcozamide,
adenosylcobalamin,
Cobalamine coenzyme,
DBC coenzyme,
Deoxyadenosylcobalamin,
5-Deoxyadenosylcobalamin,
Cobamamide-Vitamin B12,
Cobamamide [INN:JAN],
Cobamamidum [INN-Latin],
Cobamamida [INN-Spanish],
UNII-F0R1QK73KB,
5'-Deoxyadenosyl vitamin B12,
EINECS 237-627-6,
LM 176,
CID6474320,
BRN 4122932,
5,6-Dimethylbenzimidazolylcobamid coenzym,
C72-H100-Co-N18-O17-P,
V0102,
[(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-[(1R,2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxo-ethyl)-7,12,17-tris(3-amino-3-oxo-propyl)-3-[3-[[(2R)-2-[[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxypropyl]amino]-3-oxo-propyl]-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-yl]cobalt(1+),
Cobinamide, Co-(5'-deoxyadenosine-5') derivative hydroxide, dihydrogen phosphate (ester), inner salt, 3'-ester with 5,6-dimethyl-1-.alpha.-D-ribofuranosyl-1H-benzimidazole,
DBC,
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