About: dbpedia-fr:Vitamine

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An Entity of Type : dbo:ChemicalSubstance, within Data Space : prod-dbpedia.inria.fr associated with source document(s)

Attributes	Values
foaf:name	Vitamine B (fr)
alternative name	cobalamine (fr)
CAS number	(Cyanocobalamine) (Hydroxocobalamine)
The IUPAC Internat...emical Identifier	1/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-;/m10./s1/rC72H101CoN18O17P/c1-32-20-42-43(21-33(32)2)90-31-89(42)67-59(102)60(45(28-92)106-67)108-109(103,104)107-34(3)27-81-53(99)18-19-69(8)40(22-50(77)96)63-72(11)71(10,25-52(79)98)39(14-17-49(76)95)55(87-72)35(4)61-70(9,24-51(78)97)37(12-15-47(74)93)41(85-61)23-46-68(6,7)38(13-16-48(75)94)54(86-46)36(5)62(69)91(63)73(90)26-44-57(100)58(101)66(105-44)88-30-84-56-64(80)82-29-83-65(56)88/h20-21,23,29-31,34,37-40,44-45,57-60,63,66-67,92,100-102H,12-19,22,24-28H2,1-11H3,(H2,74,93)(H2,75,94)(H2,76,95)(H2,77,96)(H2,78,97)(H2,79,98)(H,81,99)(H,103,104)(H2,80,82,83)/q+1/p-1/b46-23-,61-35-,62-36-/t34?,37-,38-,39-,40+,44?,45-,57+,58+,59?,60?,63?,66+,67+,69-,70+,71+,72+/m1/s1
IUPAC name	α-(5,6-diméthylbenzimidazolyl)cobamidcyanure (fr)
SMILES	N12[C@@H]3[C@@]4([C@@]([C@H](CCC(N)=O)C(=N4)C(=C4[C@@]([C@H](CCC(N)=O)C(C=C5N=C(C(=C1[C@@](CCC(NC[C@@H](OP(O[C@@H]1[C@@H]([C@@H](N6C=[N]([Co+]2C[C@@H]2O[C@H](n7c8c(c(ncn8)N)nc7)[C@H]([C@H]2O)O)c2c6cc(C)c(c2)C)O[C@@H]1CO)O)(=O)[O-])C)=O)(C)[C@H]3CC(N)=O)C)[C@H](C5(C)C)CCC(N)=O)=N4)(CC(N)=O)C)C)(CC(N)=O)C)C

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