Showing NP-Card for Cyanocobalamin (NP0333957)
| Record Information | |||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 2.0 | ||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2024-09-09 21:25:45 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2024-09-09 21:25:45 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0333957 | ||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | ||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | |||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Cyanocobalamin | ||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Antipernicious anaemia factor isolated from liver extracts; now obtained comly. From fermentation liquors of Streptomyces griseus and other microorganisms, e.G. Propionibacterium shermanii, Pseudomonas denitrificans. Nutrient, dietary supplement, stabiliser. Haematopoietic vitamin [DFC] Cyanocobalamin is an especially common vitamer of the vitamin B12 family. B12's structure is based on a corrin ring, which, although similar to the porphyrin ring found in heme, chlorophyll, and cytochrome, has two of the pyrrole rings directly bonded. The central metal ion is Co (cobalt). B12 cannot be made by plants or by animals, as the only type of organisms that have the enzymes required for the synthesis of B12 are bacteria and archaea. Higher plants do not concentrate vitamin B12 from the soil and so are a poor source of the substance as compared with animal tissues. Vitamin B12 is naturally found in foods including meat (especially liver and shellfish), eggs, and milk products. [Wikipedia] | ||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0333957 (Cyanocobalamin)
Mrv2104 05242323582D
93 98 0 0 0 0 999 V2000
0.0339 11.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5645 10.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6747 3.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5513 -0.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3715 -4.9288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2208 -3.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6045 -4.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4795 -0.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4686 -5.8361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7421 -1.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3143 -1.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6093 -6.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0238 -1.9941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5958 -3.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4338 -6.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7890 -2.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6524 -4.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0968 0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4960 0.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4999 9.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0307 9.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6861 -0.0614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1786 -4.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6220 -6.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5354 -2.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2886 3.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0185 6.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4757 7.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1497 10.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9149 10.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8814 3.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0723 -1.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7633 -4.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1713 -5.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3742 -2.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8547 -3.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1123 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4795 -5.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3841 9.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3812 8.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1955 6.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6291 -3.6103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8718 -7.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4386 -1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3934 -4.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4596 0.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3211 -6.9828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8979 -1.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1037 1.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5809 -2.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1258 -3.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9006 6.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6659 6.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0671 -1.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8523 -4.9201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2546 -1.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9572 7.4630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4040 -3.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2955 -0.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6518 -5.7204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7124 -2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8955 -2.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6962 -7.1157 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3228 -0.9767 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.4500 -5.6150 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.0334 1.3247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2914 -7.8073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.7210 -1.5770 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4891 2.2097 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9137 8.4912 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1531 -4.4821 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1204 -2.9608 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5257 -1.8533 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5330 -3.0565 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3246 7.9926 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
3.4791 7.5923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4853 -7.8744 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
5.2038 -2.1017 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
-5.0779 -4.3314 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
-0.6593 0.9324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0500 -6.5964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4374 -0.9491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8970 1.8624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2015 6.2020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6998 5.5506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8474 4.3650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7575 7.6636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6808 4.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8664 5.5316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2736 4.9578 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
7.7967 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9717 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0988 -8.6032 0.0000 Co 0 2 0 0 0 0 0 0 0 0 0 0
1 29 1 0 0 0 0
2 30 1 0 0 0 0
3 31 1 0 0 0 0
4 32 1 0 0 0 0
5 33 1 0 0 0 0
6 58 1 0 0 0 0
7 58 1 0 0 0 0
8 59 1 0 0 0 0
9 60 1 0 0 0 0
10 61 1 0 0 0 0
11 62 1 0 0 0 0
12 15 1 0 0 0 0
12 34 1 0 0 0 0
13 16 1 0 0 0 0
13 35 1 0 0 0 0
14 17 1 0 0 0 0
14 36 1 0 0 0 0
15 43 1 0 0 0 0
16 44 1 0 0 0 0
17 45 1 0 0 0 0
18 19 1 0 0 0 0
18 49 1 0 0 0 0
19 59 1 0 0 0 0
20 29 2 0 0 0 0
20 39 1 0 0 0 0
21 30 2 0 0 0 0
21 40 1 0 0 0 0
22 37 1 0 0 0 0
22 46 1 0 0 0 0
23 38 2 0 0 0 0
23 42 1 0 0 0 0
24 47 1 0 0 0 0
24 60 1 0 0 0 0
25 48 1 0 0 0 0
25 61 1 0 0 0 0
26 31 1 0 0 0 0
26 69 1 0 0 0 0
27 41 1 0 0 0 0
27 76 1 0 0 0 0
28 70 1 0 0 0 0
28 75 2 0 0 0 0
29 30 1 0 0 0 0
31 88 1 0 0 0 0
32 50 2 0 0 0 0
32 54 1 0 0 0 0
33 51 2 0 0 0 0
33 55 1 0 0 0 0
34 38 1 0 0 0 0
34 60 1 0 0 0 0
35 50 1 0 0 0 0
35 58 1 0 0 0 0
36 51 1 0 0 0 0
36 61 1 0 0 0 0
37 56 1 0 0 0 0
37 59 1 0 0 0 0
38 71 1 0 0 0 0
39 40 2 0 0 0 0
39 70 1 0 0 0 0
40 75 1 0 0 0 0
41 53 1 0 0 0 0
41 87 1 0 0 0 0
42 58 1 0 0 0 0
42 72 2 0 0 0 0
43 63 2 0 0 0 0
43 77 1 0 0 0 0
44 64 2 0 0 0 0
44 78 1 0 0 0 0
45 65 2 0 0 0 0
45 79 1 0 0 0 0
46 66 2 0 0 0 0
46 80 1 0 0 0 0
47 67 2 0 0 0 0
47 81 1 0 0 0 0
48 68 2 0 0 0 0
48 82 1 0 0 0 0
49 69 2 0 0 0 0
49 83 1 0 0 0 0
50 72 1 0 0 0 0
51 74 1 0 0 0 0
52 53 1 0 0 0 0
52 57 1 0 0 0 0
52 84 1 0 0 0 0
53 89 1 0 0 0 0
54 59 1 0 0 0 0
54 73 2 0 0 0 0
55 60 1 0 0 0 0
55 71 2 0 0 0 0
56 62 1 0 0 0 0
56 73 1 0 0 0 0
57 75 1 0 0 0 0
57 87 1 0 0 0 0
61 62 1 0 0 0 0
62 74 1 0 0 0 0
85 90 1 0 0 0 0
86 90 2 0 0 0 0
88 90 1 0 0 0 0
89 90 1 0 0 0 0
91 92 3 0 0 0 0
M CHG 5 75 1 77 -1 78 -1 79 -1 93 2
M RAD 1 91 2
M END
3D SDF for NP0333957 (Cyanocobalamin)
Mrv2104 05242323582D
93 98 0 0 0 0 999 V2000
0.0339 11.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5645 10.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6747 3.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5513 -0.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3715 -4.9288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2208 -3.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6045 -4.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4795 -0.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4686 -5.8361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7421 -1.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3143 -1.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6093 -6.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0238 -1.9941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5958 -3.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4338 -6.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7890 -2.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6524 -4.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0968 0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4960 0.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4999 9.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0307 9.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6861 -0.0614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1786 -4.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6220 -6.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5354 -2.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2886 3.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0185 6.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4757 7.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1497 10.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9149 10.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8814 3.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0723 -1.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7633 -4.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1713 -5.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3742 -2.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8547 -3.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1123 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4795 -5.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3841 9.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3812 8.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1955 6.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6291 -3.6103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8718 -7.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4386 -1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3934 -4.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4596 0.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3211 -6.9828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8979 -1.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1037 1.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5809 -2.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1258 -3.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9006 6.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6659 6.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0671 -1.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8523 -4.9201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2546 -1.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9572 7.4630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4040 -3.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2955 -0.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6518 -5.7204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7124 -2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8955 -2.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6962 -7.1157 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3228 -0.9767 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.4500 -5.6150 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.0334 1.3247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2914 -7.8073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.7210 -1.5770 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4891 2.2097 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9137 8.4912 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1531 -4.4821 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1204 -2.9608 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5257 -1.8533 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5330 -3.0565 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3246 7.9926 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
3.4791 7.5923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4853 -7.8744 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
5.2038 -2.1017 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
-5.0779 -4.3314 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
-0.6593 0.9324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0500 -6.5964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4374 -0.9491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8970 1.8624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2015 6.2020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6998 5.5506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8474 4.3650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7575 7.6636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6808 4.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8664 5.5316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2736 4.9578 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
7.7967 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9717 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0988 -8.6032 0.0000 Co 0 2 0 0 0 0 0 0 0 0 0 0
1 29 1 0 0 0 0
2 30 1 0 0 0 0
3 31 1 0 0 0 0
4 32 1 0 0 0 0
5 33 1 0 0 0 0
6 58 1 0 0 0 0
7 58 1 0 0 0 0
8 59 1 0 0 0 0
9 60 1 0 0 0 0
10 61 1 0 0 0 0
11 62 1 0 0 0 0
12 15 1 0 0 0 0
12 34 1 0 0 0 0
13 16 1 0 0 0 0
13 35 1 0 0 0 0
14 17 1 0 0 0 0
14 36 1 0 0 0 0
15 43 1 0 0 0 0
16 44 1 0 0 0 0
17 45 1 0 0 0 0
18 19 1 0 0 0 0
18 49 1 0 0 0 0
19 59 1 0 0 0 0
20 29 2 0 0 0 0
20 39 1 0 0 0 0
21 30 2 0 0 0 0
21 40 1 0 0 0 0
22 37 1 0 0 0 0
22 46 1 0 0 0 0
23 38 2 0 0 0 0
23 42 1 0 0 0 0
24 47 1 0 0 0 0
24 60 1 0 0 0 0
25 48 1 0 0 0 0
25 61 1 0 0 0 0
26 31 1 0 0 0 0
26 69 1 0 0 0 0
27 41 1 0 0 0 0
27 76 1 0 0 0 0
28 70 1 0 0 0 0
28 75 2 0 0 0 0
29 30 1 0 0 0 0
31 88 1 0 0 0 0
32 50 2 0 0 0 0
32 54 1 0 0 0 0
33 51 2 0 0 0 0
33 55 1 0 0 0 0
34 38 1 0 0 0 0
34 60 1 0 0 0 0
35 50 1 0 0 0 0
35 58 1 0 0 0 0
36 51 1 0 0 0 0
36 61 1 0 0 0 0
37 56 1 0 0 0 0
37 59 1 0 0 0 0
38 71 1 0 0 0 0
39 40 2 0 0 0 0
39 70 1 0 0 0 0
40 75 1 0 0 0 0
41 53 1 0 0 0 0
41 87 1 0 0 0 0
42 58 1 0 0 0 0
42 72 2 0 0 0 0
43 63 2 0 0 0 0
43 77 1 0 0 0 0
44 64 2 0 0 0 0
44 78 1 0 0 0 0
45 65 2 0 0 0 0
45 79 1 0 0 0 0
46 66 2 0 0 0 0
46 80 1 0 0 0 0
47 67 2 0 0 0 0
47 81 1 0 0 0 0
48 68 2 0 0 0 0
48 82 1 0 0 0 0
49 69 2 0 0 0 0
49 83 1 0 0 0 0
50 72 1 0 0 0 0
51 74 1 0 0 0 0
52 53 1 0 0 0 0
52 57 1 0 0 0 0
52 84 1 0 0 0 0
53 89 1 0 0 0 0
54 59 1 0 0 0 0
54 73 2 0 0 0 0
55 60 1 0 0 0 0
55 71 2 0 0 0 0
56 62 1 0 0 0 0
56 73 1 0 0 0 0
57 75 1 0 0 0 0
57 87 1 0 0 0 0
61 62 1 0 0 0 0
62 74 1 0 0 0 0
85 90 1 0 0 0 0
86 90 2 0 0 0 0
88 90 1 0 0 0 0
89 90 1 0 0 0 0
91 92 3 0 0 0 0
M CHG 5 75 1 77 -1 78 -1 79 -1 93 2
M RAD 1 91 2
M END
> <DATABASE_ID>
NP0333957
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[Co++].[C]#N.CC(C\N=C(/O)CCC1(C)C(CC(O)=N)C2N=C1\C(C)=C1/N=C(/C=C3\N=C(\C(\C)=C4/NC2(C)C(C)(CC(O)=N)C4CCC([O-])=N)C(C)(CC(O)=N)C3CCC([O-])=N)C(C)(C)C1CCC([O-])=N)OP(O)(=O)OC1C(CO)OC(C1O)[N+]1=CNC2=C1C=C(C)C(C)=C2
> <INCHI_IDENTIFIER>
InChI=1/C62H90N13O14P.CN.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;1-2;/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);;/q;;+2/p-2
> <INCHI_KEY>
RMRCNWBMXRMIRW-UHFFFAOYNA-L
> <FORMULA>
C63H88CoN14O14P
> <MOLECULAR_WEIGHT>
1355.388
> <EXACT_MASS>
1354.5674
> <JCHEM_ACCEPTOR_COUNT>
23
> <JCHEM_ATOM_COUNT>
181
> <JCHEM_AVERAGE_POLARIZABILITY>
132.96605942779257
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
15
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
lambda2-cobalt(2+) 1-(3-hydroxy-4-{[hydroxy({1-[(Z)-{1-hydroxy-3-[(6Z,11Z,16Z)-8,13,18-tris(2-carboximidatoethyl)-3,14,19-tris[(C-hydroxycarbonimidoyl)methyl]-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1^{2,5}.1^{7,10}.1^{12,15}]tricosa-5(23),6,10(22),11,15(21),16-hexaen-4-yl]propylidene}amino]propan-2-yl}oxy)phosphoryl]oxy}-5-(hydroxymethyl)oxolan-2-yl)-5,6-dimethyl-3H-1lambda5,3-benzodiazol-1-ylium cyano
> <JCHEM_LOGP>
1.1086597925282549
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
8
> <JCHEM_PHYSIOLOGICAL_CHARGE>
4
> <JCHEM_PKA>
4.944610527293002
> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8091777127095996
> <JCHEM_POLAR_SURFACE_AREA>
479.79000000000013
> <JCHEM_REFRACTIVITY>
430.83759999999967
> <JCHEM_ROTATABLE_BOND_COUNT>
26
> <JCHEM_RULE_OF_FIVE>
0
> <JCHEM_TRADITIONAL_IUPAC>
lambda2-cobalt(2+) 1-(3-hydroxy-4-{[hydroxy({1-[(Z)-{1-hydroxy-3-[(6Z,11Z,16Z)-8,13,18-tris(2-carboximidatoethyl)-3,14,19-tris(C-hydroxycarbonimidoylmethyl)-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1^{2,5}.1^{7,10}.1^{12,15}]tricosa-5(23),6,10(22),11,15(21),16-hexaen-4-yl]propylidene}amino]propan-2-yl}oxy)phosphoryl]oxy}-5-(hydroxymethyl)oxolan-2-yl)-5,6-dimethyl-3H-1lambda5,3-benzodiazol-1-ylium cyano radical
> <JCHEM_VEBER_RULE>
0
$$$$
PDB for NP0333957 (Cyanocobalamin)HEADER PROTEIN 24-MAY-23 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 24-MAY-23 0 HETATM 1 C UNK 0 0.063 21.030 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 2.920 19.880 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 3.126 6.267 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 2.896 -1.783 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 -4.427 -9.200 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 6.012 -5.995 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 4.862 -7.705 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 0.895 -0.477 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 -2.741 -10.894 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 -5.119 -2.999 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 -4.320 -2.995 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 1.137 -12.089 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 5.644 -3.722 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 -6.712 -6.732 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 2.676 -12.033 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 7.073 -4.298 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 -6.818 -8.268 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 0.181 1.560 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 -0.926 0.489 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 -0.933 18.556 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 1.924 17.405 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 -3.147 -0.115 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 2.200 -8.538 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 -1.161 -12.217 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -6.599 -4.433 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 0.539 5.619 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 5.635 12.895 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 -0.888 14.545 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 0.279 19.505 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 1.708 18.930 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 1.645 6.690 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 2.002 -3.037 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 -3.291 -8.160 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 0.320 -10.784 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 4.432 -4.672 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 -5.329 -6.055 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 -2.076 -1.221 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 0.895 -9.355 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 -0.717 17.031 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 0.712 16.456 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 4.098 13.000 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 3.041 -6.739 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 3.494 -13.338 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 8.285 -3.348 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 -8.201 -8.945 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 -2.725 1.366 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 -2.466 -13.035 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 -7.276 -3.049 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 -0.194 3.054 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 2.951 -4.249 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 -3.968 -6.777 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 1.681 12.395 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 3.110 11.819 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 0.125 -2.388 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 -1.591 -9.184 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 -2.342 -2.738 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 1.787 13.931 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 4.487 -6.211 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 -0.552 -1.005 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 -1.217 -10.678 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 -5.063 -4.538 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 -3.538 -4.322 0.000 0.00 0.00 C+0 HETATM 63 N UNK 0 5.033 -13.283 0.000 0.00 0.00 N+0 HETATM 64 N UNK 0 8.069 -1.823 0.000 0.00 0.00 N+0 HETATM 65 N UNK 0 -8.307 -10.481 0.000 0.00 0.00 N+0 HETATM 66 N UNK 0 -3.796 2.473 0.000 0.00 0.00 N+0 HETATM 67 N UNK 0 -2.411 -14.574 0.000 0.00 0.00 N+0 HETATM 68 N UNK 0 -8.813 -2.944 0.000 0.00 0.00 N+0 HETATM 69 N UNK 0 0.913 4.125 0.000 0.00 0.00 N+0 HETATM 70 N UNK 0 -1.705 15.850 0.000 0.00 0.00 N+0 HETATM 71 N UNK 0 -0.286 -8.367 0.000 0.00 0.00 N+0 HETATM 72 N UNK 0 2.091 -5.527 0.000 0.00 0.00 N+0 HETATM 73 N UNK 0 -0.981 -3.459 0.000 0.00 0.00 N+0 HETATM 74 N UNK 0 -2.862 -5.706 0.000 0.00 0.00 N+0 HETATM 75 N UNK 0 0.606 14.920 0.000 0.00 0.00 N+1 HETATM 76 O UNK 0 6.494 14.172 0.000 0.00 0.00 O+0 HETATM 77 O UNK 0 2.773 -14.699 0.000 0.00 0.00 O-1 HETATM 78 O UNK 0 9.714 -3.923 0.000 0.00 0.00 O-1 HETATM 79 O UNK 0 -9.479 -8.085 0.000 0.00 0.00 O-1 HETATM 80 O UNK 0 -1.231 1.741 0.000 0.00 0.00 O+0 HETATM 81 O UNK 0 -3.827 -12.313 0.000 0.00 0.00 O+0 HETATM 82 O UNK 0 -6.416 -1.772 0.000 0.00 0.00 O+0 HETATM 83 O UNK 0 -1.674 3.476 0.000 0.00 0.00 O+0 HETATM 84 O UNK 0 0.376 11.577 0.000 0.00 0.00 O+0 HETATM 85 O UNK 0 1.306 10.361 0.000 0.00 0.00 O+0 HETATM 86 O UNK 0 3.449 8.148 0.000 0.00 0.00 O+0 HETATM 87 O UNK 0 3.281 14.305 0.000 0.00 0.00 O+0 HETATM 88 O UNK 0 1.271 8.183 0.000 0.00 0.00 O+0 HETATM 89 O UNK 0 3.484 10.326 0.000 0.00 0.00 O+0 HETATM 90 P UNK 0 2.377 9.255 0.000 0.00 0.00 P+0 HETATM 91 C UNK 0 14.554 0.000 0.000 0.00 0.00 C+0 HETATM 92 N UNK 0 13.014 0.000 0.000 0.00 0.00 N+0 HETATM 93 Co UNK 0 2.051 -16.059 0.000 0.00 0.00 Co+2 CONECT 1 29 CONECT 2 30 CONECT 3 31 CONECT 4 32 CONECT 5 33 CONECT 6 58 CONECT 7 58 CONECT 8 59 CONECT 9 60 CONECT 10 61 CONECT 11 62 CONECT 12 15 34 CONECT 13 16 35 CONECT 14 17 36 CONECT 15 12 43 CONECT 16 13 44 CONECT 17 14 45 CONECT 18 19 49 CONECT 19 18 59 CONECT 20 29 39 CONECT 21 30 40 CONECT 22 37 46 CONECT 23 38 42 CONECT 24 47 60 CONECT 25 48 61 CONECT 26 31 69 CONECT 27 41 76 CONECT 28 70 75 CONECT 29 1 20 30 CONECT 30 2 21 29 CONECT 31 3 26 88 CONECT 32 4 50 54 CONECT 33 5 51 55 CONECT 34 12 38 60 CONECT 35 13 50 58 CONECT 36 14 51 61 CONECT 37 22 56 59 CONECT 38 23 34 71 CONECT 39 20 40 70 CONECT 40 21 39 75 CONECT 41 27 53 87 CONECT 42 23 58 72 CONECT 43 15 63 77 CONECT 44 16 64 78 CONECT 45 17 65 79 CONECT 46 22 66 80 CONECT 47 24 67 81 CONECT 48 25 68 82 CONECT 49 18 69 83 CONECT 50 32 35 72 CONECT 51 33 36 74 CONECT 52 53 57 84 CONECT 53 41 52 89 CONECT 54 32 59 73 CONECT 55 33 60 71 CONECT 56 37 62 73 CONECT 57 52 75 87 CONECT 58 6 7 35 42 CONECT 59 8 19 37 54 CONECT 60 9 24 34 55 CONECT 61 10 25 36 62 CONECT 62 11 56 61 74 CONECT 63 43 CONECT 64 44 CONECT 65 45 CONECT 66 46 CONECT 67 47 CONECT 68 48 CONECT 69 26 49 CONECT 70 28 39 CONECT 71 38 55 CONECT 72 42 50 CONECT 73 54 56 CONECT 74 51 62 CONECT 75 28 40 57 CONECT 76 27 CONECT 77 43 CONECT 78 44 CONECT 79 45 CONECT 80 46 CONECT 81 47 CONECT 82 48 CONECT 83 49 CONECT 84 52 CONECT 85 90 CONECT 86 90 CONECT 87 41 57 CONECT 88 31 90 CONECT 89 53 90 CONECT 90 85 86 88 89 CONECT 91 92 CONECT 92 91 MASTER 0 0 0 0 0 0 0 0 93 0 196 0 END SMILES for NP0333957 (Cyanocobalamin)[Co++].[C]#N.CC(C\N=C(/O)CCC1(C)C(CC(O)=N)C2N=C1\C(C)=C1/N=C(/C=C3\N=C(\C(\C)=C4/NC2(C)C(C)(CC(O)=N)C4CCC([O-])=N)C(C)(CC(O)=N)C3CCC([O-])=N)C(C)(C)C1CCC([O-])=N)OP(O)(=O)OC1C(CO)OC(C1O)[N+]1=CNC2=C1C=C(C)C(C)=C2 INCHI for NP0333957 (Cyanocobalamin)InChI=1/C62H90N13O14P.CN.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;1-2;/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);;/q;;+2/p-2 3D Structure for NP0333957 (Cyanocobalamin) | ||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C63H88CoN14O14P | ||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1355.3880 Da | ||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1354.56740 Da | ||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | lambda2-cobalt(2+) 1-(3-hydroxy-4-{[hydroxy({1-[(Z)-{1-hydroxy-3-[(6Z,11Z,16Z)-8,13,18-tris(2-carboximidatoethyl)-3,14,19-tris[(C-hydroxycarbonimidoyl)methyl]-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1^{2,5}.1^{7,10}.1^{12,15}]tricosa-5(23),6,10(22),11,15(21),16-hexaen-4-yl]propylidene}amino]propan-2-yl}oxy)phosphoryl]oxy}-5-(hydroxymethyl)oxolan-2-yl)-5,6-dimethyl-3H-1lambda5,3-benzodiazol-1-ylium cyano | ||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | lambda2-cobalt(2+) 1-(3-hydroxy-4-{[hydroxy({1-[(Z)-{1-hydroxy-3-[(6Z,11Z,16Z)-8,13,18-tris(2-carboximidatoethyl)-3,14,19-tris(C-hydroxycarbonimidoylmethyl)-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1^{2,5}.1^{7,10}.1^{12,15}]tricosa-5(23),6,10(22),11,15(21),16-hexaen-4-yl]propylidene}amino]propan-2-yl}oxy)phosphoryl]oxy}-5-(hydroxymethyl)oxolan-2-yl)-5,6-dimethyl-3H-1lambda5,3-benzodiazol-1-ylium cyano radical | ||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | [Co++].[C]#N.CC(C\N=C(/O)CCC1(C)C(CC(O)=N)C2N=C1\C(C)=C1/N=C(/C=C3\N=C(\C(\C)=C4/NC2(C)C(C)(CC(O)=N)C4CCC([O-])=N)C(C)(CC(O)=N)C3CCC([O-])=N)C(C)(C)C1CCC([O-])=N)OP(O)(=O)OC1C(CO)OC(C1O)[N+]1=CNC2=C1C=C(C)C(C)=C2 | ||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1/C62H90N13O14P.CN.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;1-2;/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);;/q;;+2/p-2 | ||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | RMRCNWBMXRMIRW-UHFFFAOYNA-L | ||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | |||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | |||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Shift Submissions | |||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||
| Species | |||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Taxonomy | |||||||||||||||||||||||||||||||||||||||||||||||||
| Classification | Not classified | ||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | |||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
| ||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Properties |
| ||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | |||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| References | |||||||||||||||||||||||||||||||||||||||||||||||||
| General References | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
