找化学品上960化工网!
960化工网

腺苷钴胺 | 13870-90-1

腺苷钴胺
Cobamamide
13870-90-1
C72H100CoN18O17P
1579.5818
腺苷钴胺 数据

Mol:

13870-90-1.mol    by:chem960.com
ChemDraw08031019472D

…………

0 0 0 0 0 0 0 0 0 0
16.4027 2.0578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18.6156 5.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7655 4.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7655 3.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.4058 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.4058 0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7655 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.0462 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.4679 5.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7862 4.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2206 4.0629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3366 5.3604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.0685 2.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4939 1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0465 1.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0336 5.7107 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
14.6725 10.9575 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
21.3840 16.3771 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
22.6543 15.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.0884 16.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
25.3588 15.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
25.1949 13.6093 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
23.7608 12.9705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.4905 13.8931 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
26.6298 16.0940 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
26.1442 17.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.5732 17.5876 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
28.1229 15.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
29.3931 16.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
29.3931 18.1017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
30.6632 15.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
32.1564 16.0940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
30.1781 14.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
31.1009 12.8455 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0
28.6081 14.1157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
3 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
15 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
19 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 2 0 0 0 0
22 25 1 0 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 1 0 0 0
27 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 26 1 0 0 0 0
31 32 1 6 0 0 0
32 33 1 0 0 0 0
29 34 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
38 40 2 0 0 0 0
40 41 1 0 0 0 0
40 42 1 0 0 0 0
42 35 2 0 0 0 0
36 43 1 0 0 0 0
43 44 2 0 0 0 0
44 34 1 0 0 0 0
12 45 1 0 0 0 0
12 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
48 50 2 0 0 0 0
46 51 1 0 0 0 0
51 52 1 0 0 0 0
52 11 1 0 0 0 0
51 53 1 0 0 0 0
53 54 1 0 0 0 0
53 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
57 59 2 0 0 0 0
55 60 1 0 0 0 0
55 61 1 0 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
63 64 1 0 0 0 0
64 65 1 0 0 0 0
64 66 2 0 0 0 0
61 67 1 0 0 0 0
67 68 1 0 0 0 0
68 69 1 0 0 0 0
68 70 2 0 0 0 0
70 71 1 0 0 0 0
71 72 1 0 0 0 0
72 73 1 0 0 0 0
73 74 1 0 0 0 0
73 75 2 0 0 0 0
71 76 1 0 0 0 0
71 77 1 0 0 0 0
77 78 1 0 0 0 0
78 79 1 0 0 0 0
79 80 1 0 0 0 0
80 81 1 0 0 0 0
80 82 2 0 0 0 0
77 83 1 0 0 0 0
83 84 1 0 0 0 0
84 85 2 0 0 0 0
85 86 1 0 0 0 0
86 8 2 0 0 0 0
85 87 1 0 0 0 0
87 7 1 0 0 0 0
87 88 1 0 0 0 0
87 89 1 0 0 0 0
83 90 2 0 0 0 0
90 70 1 0 0 0 0
67 91 2 0 0 0 0
91 53 1 0 0 0 0
92 93 1 0 0 0 0
93 94 2 0 0 0 0
94 95 1 0 0 0 0
95 96 2 0 0 0 0
96 97 1 0 0 0 0
97 98 2 0 0 0 0
98 93 1 0 0 0 0
95 99 1 0 0 0 0
99100 1 0 0 0 0
100101 2 0 0 0 0
101 94 1 0 0 0 0
102 99 1 6 0 0 0
102103 1 0 0 0 0
103104 1 6 0 0 0
103105 1 0 0 0 0
105106 1 6 0 0 0
105107 1 0 0 0 0
107108 1 1 0 0 0
107109 1 0 0 0 0
109102 1 0 0 0 0
M CHG 1 1 3
M CHG 1 23 -1
M CHG 1 52 -1
M CHG 1 108 -1
M END
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

如果您需要其它格式的数据,比如:Reaction File,JSDraw2 html,CDX,CDXML等格式的文件,您可以使用我们的结构式搜索工具,可以直接进行导出(详情请点击 ); 如果您想了解更多关于腺苷钴胺的物化性质,请参考我们化工词典中收录的词条:13870-90-1 如果您有更其他更特殊的定制数据需求,请直接拨打我们的客服热线:4000 025 960 。

960化工网为您提供腺苷钴胺专业化合物结构信息,包括中文名,英文名,分子式,分子量,以及该化合物的腺苷钴胺 Mol文件,以及Smile、InChi和相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等;wap 版:13870-90-1 腺苷钴胺结构式
平台客服
平台客服

平台在线客服