Mol：
13870-90-1.mol by:chem960.com
ChemDraw08031019472D
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M END
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腺苷钴胺 MDL： MFCD00135609 腺苷钴胺 InChIKey： OAJLVMGLJZXSGX-CXGXMSGESA-L 腺苷钴胺 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 腺苷钴胺 SMILES： [Co+3].P(=O)([O-])(O[C@]1([H])[C@@]([H])(C([H])([H])O[H])O[C@@]([H])([C@]1([H])O[H])N1C([H])=NC2C([H])=C(C([H])([H])[H])C(C([H])([H])[H])=C([H])C1=2)OC([H])(C([H])([H])[H])C([H])([H])N([H])C(C([H])([H])C([H])([H])C1(C([H])([H])[H])C2=C(C([H])([H])[H])C3C([H])(C([H])([H])C([H])([H])C(N([H])[H])=O)C(C([H])([H])[H])(C([H])([H])[H])C(=C([H])C4C([H])(C([H])([H])C([H])([H])C(N([H])[H])=O)C(C([H])([H])[H])(C([H])([H])C(N([H])[H])=O)C(=C(C([H])([H])[H])C5C([H])(C([H])([H])C([H])([H])C(N([H])[H])=O)C(C([H])([H])[H])(C([H])([H])C(N([H])[H])=O)C(C([H])([H])[H])(C([H])(C1([H])C([H])([H])C(N([H])[H])=O)[N-]2)N=5)N=4)N=3)=O.O1[C@]([H])([C@@]([H])([C@@]([H])([C@@]1([H])[C-]([H])[H])O[H])O[H])N1C([H])=NC2=C(N([H])[H])N=C([H])N=C12 |c:67,96,126| 腺苷钴胺 BRN： 4122932 
