Showing NP-Card for (24R,25R)-3α,7α,24-trihydroxy-5β-cholestanoyl CoA (NP0339978)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2024-09-12 00:38:24 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2024-09-12 00:38:25 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0339978 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | (24R,25R)-3α,7α,24-trihydroxy-5β-cholestanoyl CoA | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0339978 ((24R,25R)-3α,7α,24-trihydroxy-5β-cholestanoyl CoA)
Mrv2104 05252301322D
94100 0 0 1 0 999 V2000
13.1464 6.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2885 6.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7477 11.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3977 11.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.4834 5.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0014 6.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4319 7.3392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9471 8.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7541 8.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7174 6.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.0974 5.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.6764 6.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0017 8.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.2904 5.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.8695 6.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0017 9.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4306 6.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1451 7.3392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.3945 6.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.3325 7.8867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4293 16.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5727 12.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7420 18.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8986 19.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1464 6.9267 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
10.2885 6.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.5875 7.1021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
18.6494 6.1460 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
13.8609 7.3392 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
15.1666 7.6167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
16.2285 6.6605 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.0030 7.3392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.5256 8.0583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.7148 16.8267 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.7161 8.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.9735 7.4452 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.4071 19.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4091 17.1042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.9612 16.4911 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5727 11.0517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1608 19.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3209 18.7439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2872 10.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8216 17.8187 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.5740 7.3392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5727 11.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.0354 6.4890 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
14.6145 7.0036 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.2470 20.7204 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7161 7.3392 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2872 9.8142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8282 19.4150 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9883 18.2589 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3466 19.8999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4861 18.5723 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
19.4564 5.9744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.0030 8.1642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.2706 8.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4306 8.5767 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
-0.4113 17.0180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8583 10.6392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0017 11.0517 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
9.5740 8.1642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2499 16.2138 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
0.2600 14.6446 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
-0.7796 15.1742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7313 14.4622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5563 15.8911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0333 13.9392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6833 13.9392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4293 15.5892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8583 13.1142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6286 17.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7896 15.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8583 14.7642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0050 15.4292 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
3.1438 15.1767 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
3.8583 13.9392 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
8.8596 6.9267 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
12.4319 6.5142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0030 6.5142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
18.1395 7.7152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
18.9043 5.3613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1690 7.7885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.4215 6.8321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
16.7805 7.2736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7174 7.7517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
17.0776 8.6714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4068 17.2760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.7186 8.2298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0402 17.7961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6023 15.9719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2872 11.4642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3408 18.4598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
25 1 1 0 0 0 0
2 26 1 0 0 0 0
3 46 1 0 0 0 0
4 46 1 0 0 0 0
47 5 1 6 0 0 0
48 6 1 6 0 0 0
7 10 1 0 0 0 0
25 7 1 0 0 0 0
8 9 1 0 0 0 0
29 8 1 0 0 0 0
30 9 1 0 0 0 0
10 32 1 0 0 0 0
11 14 1 0 0 0 0
28 11 1 0 0 0 0
12 15 1 0 0 0 0
31 12 1 0 0 0 0
13 16 1 0 0 0 0
13 35 1 0 0 0 0
47 14 1 0 0 0 0
48 15 1 0 0 0 0
16 51 1 0 0 0 0
17 18 1 0 0 0 0
17 50 1 0 0 0 0
18 79 1 0 0 0 0
27 19 1 0 0 0 0
28 19 1 0 0 0 0
27 20 1 0 0 0 0
33 20 1 0 0 0 0
34 21 1 6 0 0 0
21 71 1 0 0 0 0
22 46 1 0 0 0 0
22 72 1 0 0 0 0
23 52 2 0 0 0 0
23 53 1 0 0 0 0
24 54 2 0 0 0 0
24 55 1 0 0 0 0
25 80 1 1 0 0 0
29 25 1 1 0 0 0
26 81 1 0 0 0 0
26 32 1 0 0 0 0
26 45 1 0 0 0 0
27 82 1 1 0 0 0
47 27 1 0 0 0 0
28 83 1 1 0 0 0
28 56 1 0 0 0 0
29 84 1 6 0 0 0
48 29 1 0 0 0 0
30 85 1 6 0 0 0
36 30 1 0 0 0 0
30 48 1 0 0 0 0
31 86 1 6 0 0 0
36 31 1 0 0 0 0
31 47 1 0 0 0 0
32 87 1 0 0 0 0
32 57 1 0 0 0 0
33 88 1 1 0 0 0
36 33 1 0 0 0 0
33 58 1 0 0 0 0
34 89 1 1 0 0 0
39 34 1 0 0 0 0
34 73 1 0 0 0 0
35 50 2 0 0 0 0
35 59 1 0 0 0 0
36 90 1 1 0 0 0
37 41 2 0 0 0 0
37 42 1 0 0 0 0
37 54 1 0 0 0 0
38 91 1 6 0 0 0
38 39 1 0 0 0 0
38 44 1 0 0 0 0
38 60 1 1 0 0 0
39 92 1 6 0 0 0
39 74 1 1 0 0 0
40 93 1 1 0 0 0
40 43 1 0 0 0 0
40 46 1 0 0 0 0
40 61 1 0 0 0 0
41 49 1 0 0 0 0
41 52 1 0 0 0 0
42 53 2 0 0 0 0
42 55 1 0 0 0 0
43 51 2 0 0 0 0
43 62 1 0 0 0 0
44 94 1 1 0 0 0
44 55 1 6 0 0 0
44 73 1 0 0 0 0
45 63 2 0 0 0 0
45 79 1 0 0 0 0
64 76 1 0 0 0 0
65 76 1 0 0 0 0
66 76 2 0 0 0 0
67 77 1 0 0 0 0
68 77 2 0 0 0 0
69 78 1 0 0 0 0
70 78 2 0 0 0 0
71 77 1 0 0 0 0
72 78 1 0 0 0 0
74 76 1 0 0 0 0
75 77 1 0 0 0 0
75 78 1 0 0 0 0
M CHG 4 59 -1 62 -1 64 -1 65 -1
M END
3D SDF for NP0339978 ((24R,25R)-3α,7α,24-trihydroxy-5β-cholestanoyl CoA)
Mrv2104 05252301322D
94100 0 0 1 0 999 V2000
13.1464 6.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2885 6.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7477 11.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3977 11.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.4834 5.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0014 6.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4319 7.3392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9471 8.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7541 8.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7174 6.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.0974 5.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.6764 6.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0017 8.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.2904 5.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.8695 6.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0017 9.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4306 6.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1451 7.3392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.3945 6.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.3325 7.8867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4293 16.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5727 12.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7420 18.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8986 19.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1464 6.9267 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
10.2885 6.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.5875 7.1021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
18.6494 6.1460 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
13.8609 7.3392 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
15.1666 7.6167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
16.2285 6.6605 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.0030 7.3392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.5256 8.0583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.7148 16.8267 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.7161 8.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.9735 7.4452 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.4071 19.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4091 17.1042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.9612 16.4911 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5727 11.0517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1608 19.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3209 18.7439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2872 10.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8216 17.8187 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.5740 7.3392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5727 11.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.0354 6.4890 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
14.6145 7.0036 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.2470 20.7204 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7161 7.3392 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2872 9.8142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8282 19.4150 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9883 18.2589 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3466 19.8999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4861 18.5723 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
19.4564 5.9744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.0030 8.1642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.2706 8.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4306 8.5767 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
-0.4113 17.0180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8583 10.6392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0017 11.0517 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
9.5740 8.1642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2499 16.2138 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
0.2600 14.6446 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
-0.7796 15.1742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7313 14.4622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5563 15.8911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0333 13.9392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6833 13.9392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4293 15.5892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8583 13.1142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6286 17.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7896 15.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8583 14.7642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0050 15.4292 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
3.1438 15.1767 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
3.8583 13.9392 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
8.8596 6.9267 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
12.4319 6.5142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0030 6.5142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
18.1395 7.7152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
18.9043 5.3613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1690 7.7885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.4215 6.8321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
16.7805 7.2736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7174 7.7517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
17.0776 8.6714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4068 17.2760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.7186 8.2298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0402 17.7961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6023 15.9719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2872 11.4642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3408 18.4598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
25 1 1 0 0 0 0
2 26 1 0 0 0 0
3 46 1 0 0 0 0
4 46 1 0 0 0 0
47 5 1 6 0 0 0
48 6 1 6 0 0 0
7 10 1 0 0 0 0
25 7 1 0 0 0 0
8 9 1 0 0 0 0
29 8 1 0 0 0 0
30 9 1 0 0 0 0
10 32 1 0 0 0 0
11 14 1 0 0 0 0
28 11 1 0 0 0 0
12 15 1 0 0 0 0
31 12 1 0 0 0 0
13 16 1 0 0 0 0
13 35 1 0 0 0 0
47 14 1 0 0 0 0
48 15 1 0 0 0 0
16 51 1 0 0 0 0
17 18 1 0 0 0 0
17 50 1 0 0 0 0
18 79 1 0 0 0 0
27 19 1 0 0 0 0
28 19 1 0 0 0 0
27 20 1 0 0 0 0
33 20 1 0 0 0 0
34 21 1 6 0 0 0
21 71 1 0 0 0 0
22 46 1 0 0 0 0
22 72 1 0 0 0 0
23 52 2 0 0 0 0
23 53 1 0 0 0 0
24 54 2 0 0 0 0
24 55 1 0 0 0 0
25 80 1 1 0 0 0
29 25 1 1 0 0 0
26 81 1 0 0 0 0
26 32 1 0 0 0 0
26 45 1 0 0 0 0
27 82 1 1 0 0 0
47 27 1 0 0 0 0
28 83 1 1 0 0 0
28 56 1 0 0 0 0
29 84 1 6 0 0 0
48 29 1 0 0 0 0
30 85 1 6 0 0 0
36 30 1 0 0 0 0
30 48 1 0 0 0 0
31 86 1 6 0 0 0
36 31 1 0 0 0 0
31 47 1 0 0 0 0
32 87 1 0 0 0 0
32 57 1 0 0 0 0
33 88 1 1 0 0 0
36 33 1 0 0 0 0
33 58 1 0 0 0 0
34 89 1 1 0 0 0
39 34 1 0 0 0 0
34 73 1 0 0 0 0
35 50 2 0 0 0 0
35 59 1 0 0 0 0
36 90 1 1 0 0 0
37 41 2 0 0 0 0
37 42 1 0 0 0 0
37 54 1 0 0 0 0
38 91 1 6 0 0 0
38 39 1 0 0 0 0
38 44 1 0 0 0 0
38 60 1 1 0 0 0
39 92 1 6 0 0 0
39 74 1 1 0 0 0
40 93 1 1 0 0 0
40 43 1 0 0 0 0
40 46 1 0 0 0 0
40 61 1 0 0 0 0
41 49 1 0 0 0 0
41 52 1 0 0 0 0
42 53 2 0 0 0 0
42 55 1 0 0 0 0
43 51 2 0 0 0 0
43 62 1 0 0 0 0
44 94 1 1 0 0 0
44 55 1 6 0 0 0
44 73 1 0 0 0 0
45 63 2 0 0 0 0
45 79 1 0 0 0 0
64 76 1 0 0 0 0
65 76 1 0 0 0 0
66 76 2 0 0 0 0
67 77 1 0 0 0 0
68 77 2 0 0 0 0
69 78 1 0 0 0 0
70 78 2 0 0 0 0
71 77 1 0 0 0 0
72 78 1 0 0 0 0
74 76 1 0 0 0 0
75 77 1 0 0 0 0
75 78 1 0 0 0 0
M CHG 4 59 -1 62 -1 64 -1 65 -1
M END
> <DATABASE_ID>
NP0339978
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H][C@@](C)(CCC([H])(O)C([H])(C)C(=O)SCC\N=C(/[O-])CC\N=C(/[O-])[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP([O-])([O-])=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@@]4(C)[C@@]3([H])CC[C@@]12C
> <INCHI_IDENTIFIER>
InChI=1S/C48H80N7O20P3S/c1-25(29-8-9-30-36-31(12-15-48(29,30)6)47(5)14-11-28(56)19-27(47)20-33(36)58)7-10-32(57)26(2)45(63)79-18-17-50-35(59)13-16-51-43(62)40(61)46(3,4)22-72-78(69,70)75-77(67,68)71-21-34-39(74-76(64,65)66)38(60)44(73-34)55-24-54-37-41(49)52-23-53-42(37)55/h23-34,36,38-40,44,56-58,60-61H,7-22H2,1-6H3,(H,50,59)(H,51,62)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/p-4/t25-,26?,27+,28-,29-,30+,31+,32?,33-,34-,36+,38-,39-,40+,44-,47-,48+/m1/s1
> <INCHI_KEY>
SZBMUAIJWNJARR-QBMFOUIGSA-J
> <FORMULA>
C48H76N7O20P3S
> <MOLECULAR_WEIGHT>
1196.15
> <EXACT_MASS>
1195.410064363
> <JCHEM_ACCEPTOR_COUNT>
22
> <JCHEM_ATOM_COUNT>
155
> <JCHEM_AVERAGE_POLARIZABILITY>
119.06659071112581
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
8
> <JCHEM_FORMAL_CHARGE>
-4
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(Z,2R)-N-{2-[(Z)-(2-{[(6R)-6-[(1R,3aS,3bR,4R,5aS,7R,9aR,9bS,11aS)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-3-hydroxy-2-methylheptanoyl]sulfanyl}ethyl)carboximidato]ethyl}-4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethylbutanimidate
> <JCHEM_LOGP>
-0.29204874655736396
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
7
> <JCHEM_PHYSIOLOGICAL_CHARGE>
-4
> <JCHEM_PKA>
0.9128982707053486
> <JCHEM_PKA_STRONGEST_ACIDIC>
0.8196823426202668
> <JCHEM_PKA_STRONGEST_BASIC>
4.851868275395007
> <JCHEM_POLAR_SURFACE_AREA>
442.6200000000001
> <JCHEM_REFRACTIVITY>
304.0306999999999
> <JCHEM_ROTATABLE_BOND_COUNT>
26
> <JCHEM_RULE_OF_FIVE>
0
> <JCHEM_TRADITIONAL_IUPAC>
(Z,2R)-N-{2-[(Z)-(2-{[(6R)-6-[(1R,3aS,3bR,4R,5aS,7R,9aR,9bS,11aS)-4,7-dihydroxy-9a,11a-dimethyl-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]-3-hydroxy-2-methylheptanoyl]sulfanyl}ethyl)carboximidato]ethyl}-4-[({[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-2-hydroxy-3,3-dimethylbutanimidate
> <JCHEM_VEBER_RULE>
0
$$$$
PDB for NP0339978 ((24R,25R)-3α,7α,24-trihydroxy-5β-cholestanoyl CoA)HEADER PROTEIN 25-MAY-23 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 25-MAY-23 0 HETATM 1 C UNK 0 24.540 11.390 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 19.205 11.390 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 6.996 22.170 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 10.076 22.170 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 30.769 10.968 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 26.136 12.043 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 23.206 13.700 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 26.035 15.231 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 27.541 15.552 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 21.873 12.930 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 33.782 10.328 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 29.263 11.289 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 11.203 16.010 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 32.275 10.648 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 27.756 11.609 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 11.203 17.550 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 13.870 12.930 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 15.204 13.700 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 34.336 12.937 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 32.354 14.722 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 4.535 30.640 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 8.536 23.710 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 -3.252 34.710 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 1.677 36.002 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 24.540 12.930 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 19.205 12.930 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 32.830 13.257 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 34.812 11.472 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 25.874 13.700 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 28.311 14.218 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 30.293 12.433 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 20.539 13.700 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 30.848 15.042 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 3.201 31.410 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 12.537 15.240 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 29.817 13.898 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 -0.760 36.520 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 0.764 31.928 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 1.794 30.783 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 8.536 20.630 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 -2.167 37.146 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 -0.599 34.989 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 9.869 19.860 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 1.534 33.262 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 17.872 13.700 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 8.536 22.170 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 31.799 12.113 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 27.280 13.073 0.000 0.00 0.00 C+0 HETATM 49 N UNK 0 -2.328 38.678 0.000 0.00 0.00 N+0 HETATM 50 N UNK 0 12.537 13.700 0.000 0.00 0.00 N+0 HETATM 51 N UNK 0 9.869 18.320 0.000 0.00 0.00 N+0 HETATM 52 N UNK 0 -3.413 36.241 0.000 0.00 0.00 N+0 HETATM 53 N UNK 0 -1.845 34.083 0.000 0.00 0.00 N+0 HETATM 54 N UNK 0 0.647 37.146 0.000 0.00 0.00 N+0 HETATM 55 N UNK 0 0.907 34.668 0.000 0.00 0.00 N+0 HETATM 56 O UNK 0 36.319 11.152 0.000 0.00 0.00 O+0 HETATM 57 O UNK 0 20.539 15.240 0.000 0.00 0.00 O+0 HETATM 58 O UNK 0 30.372 16.507 0.000 0.00 0.00 O+0 HETATM 59 O UNK 0 13.870 16.010 0.000 0.00 0.00 O-1 HETATM 60 O UNK 0 -0.768 31.767 0.000 0.00 0.00 O+0 HETATM 61 O UNK 0 7.202 19.860 0.000 0.00 0.00 O+0 HETATM 62 O UNK 0 11.203 20.630 0.000 0.00 0.00 O-1 HETATM 63 O UNK 0 17.872 15.240 0.000 0.00 0.00 O+0 HETATM 64 O UNK 0 -0.467 30.266 0.000 0.00 0.00 O-1 HETATM 65 O UNK 0 0.485 27.337 0.000 0.00 0.00 O-1 HETATM 66 O UNK 0 -1.455 28.325 0.000 0.00 0.00 O+0 HETATM 67 O UNK 0 5.098 26.996 0.000 0.00 0.00 O+0 HETATM 68 O UNK 0 6.638 29.663 0.000 0.00 0.00 O+0 HETATM 69 O UNK 0 5.662 26.020 0.000 0.00 0.00 O+0 HETATM 70 O UNK 0 8.742 26.020 0.000 0.00 0.00 O+0 HETATM 71 O UNK 0 4.535 29.100 0.000 0.00 0.00 O+0 HETATM 72 O UNK 0 7.202 24.480 0.000 0.00 0.00 O+0 HETATM 73 O UNK 0 3.040 32.941 0.000 0.00 0.00 O+0 HETATM 74 O UNK 0 1.474 29.277 0.000 0.00 0.00 O+0 HETATM 75 O UNK 0 7.202 27.560 0.000 0.00 0.00 O+0 HETATM 76 P UNK 0 0.009 28.801 0.000 0.00 0.00 P+0 HETATM 77 P UNK 0 5.868 28.330 0.000 0.00 0.00 P+0 HETATM 78 P UNK 0 7.202 26.020 0.000 0.00 0.00 P+0 HETATM 79 S UNK 0 16.538 12.930 0.000 0.00 0.00 S+0 HETATM 80 H UNK 0 23.206 12.160 0.000 0.00 0.00 H+0 HETATM 81 H UNK 0 20.539 12.160 0.000 0.00 0.00 H+0 HETATM 82 H UNK 0 33.860 14.402 0.000 0.00 0.00 H+0 HETATM 83 H UNK 0 35.288 10.008 0.000 0.00 0.00 H+0 HETATM 84 H UNK 0 24.582 14.539 0.000 0.00 0.00 H+0 HETATM 85 H UNK 0 28.787 12.753 0.000 0.00 0.00 H+0 HETATM 86 H UNK 0 31.324 13.577 0.000 0.00 0.00 H+0 HETATM 87 H UNK 0 21.873 14.470 0.000 0.00 0.00 H+0 HETATM 88 H UNK 0 31.878 16.187 0.000 0.00 0.00 H+0 HETATM 89 H UNK 0 4.493 32.249 0.000 0.00 0.00 H+0 HETATM 90 H UNK 0 29.341 15.362 0.000 0.00 0.00 H+0 HETATM 91 H UNK 0 -0.075 33.219 0.000 0.00 0.00 H+0 HETATM 92 H UNK 0 2.991 29.814 0.000 0.00 0.00 H+0 HETATM 93 H UNK 0 9.869 21.400 0.000 0.00 0.00 H+0 HETATM 94 H UNK 0 2.503 34.458 0.000 0.00 0.00 H+0 CONECT 1 25 CONECT 2 26 CONECT 3 46 CONECT 4 46 CONECT 5 47 CONECT 6 48 CONECT 7 10 25 CONECT 8 9 29 CONECT 9 8 30 CONECT 10 7 32 CONECT 11 14 28 CONECT 12 15 31 CONECT 13 16 35 CONECT 14 11 47 CONECT 15 12 48 CONECT 16 13 51 CONECT 17 18 50 CONECT 18 17 79 CONECT 19 27 28 CONECT 20 27 33 CONECT 21 34 71 CONECT 22 46 72 CONECT 23 52 53 CONECT 24 54 55 CONECT 25 1 7 80 29 CONECT 26 2 81 32 45 CONECT 27 19 20 82 47 CONECT 28 11 19 83 56 CONECT 29 8 25 84 48 CONECT 30 9 85 36 48 CONECT 31 12 86 36 47 CONECT 32 10 26 87 57 CONECT 33 20 88 36 58 CONECT 34 21 89 39 73 CONECT 35 13 50 59 CONECT 36 30 31 33 90 CONECT 37 41 42 54 CONECT 38 91 39 44 60 CONECT 39 34 38 92 74 CONECT 40 93 43 46 61 CONECT 41 37 49 52 CONECT 42 37 53 55 CONECT 43 40 51 62 CONECT 44 38 94 55 73 CONECT 45 26 63 79 CONECT 46 3 4 22 40 CONECT 47 5 14 27 31 CONECT 48 6 15 29 30 CONECT 49 41 CONECT 50 17 35 CONECT 51 16 43 CONECT 52 23 41 CONECT 53 23 42 CONECT 54 24 37 CONECT 55 24 42 44 CONECT 56 28 CONECT 57 32 CONECT 58 33 CONECT 59 35 CONECT 60 38 CONECT 61 40 CONECT 62 43 CONECT 63 45 CONECT 64 76 CONECT 65 76 CONECT 66 76 CONECT 67 77 CONECT 68 77 CONECT 69 78 CONECT 70 78 CONECT 71 21 77 CONECT 72 22 78 CONECT 73 34 44 CONECT 74 39 76 CONECT 75 77 78 CONECT 76 64 65 66 74 CONECT 77 67 68 71 75 CONECT 78 69 70 72 75 CONECT 79 18 45 CONECT 80 25 CONECT 81 26 CONECT 82 27 CONECT 83 28 CONECT 84 29 CONECT 85 30 CONECT 86 31 CONECT 87 32 CONECT 88 33 CONECT 89 34 CONECT 90 36 CONECT 91 38 CONECT 92 39 CONECT 93 40 CONECT 94 44 MASTER 0 0 0 0 0 0 0 0 94 0 200 0 END SMILES for NP0339978 ((24R,25R)-3α,7α,24-trihydroxy-5β-cholestanoyl CoA)[H][C@@](C)(CCC([H])(O)C([H])(C)C(=O)SCC\N=C(/[O-])CC\N=C(/[O-])[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP([O-])([O-])=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@@]4(C)[C@@]3([H])CC[C@@]12C INCHI for NP0339978 ((24R,25R)-3α,7α,24-trihydroxy-5β-cholestanoyl CoA)InChI=1S/C48H80N7O20P3S/c1-25(29-8-9-30-36-31(12-15-48(29,30)6)47(5)14-11-28(56)19-27(47)20-33(36)58)7-10-32(57)26(2)45(63)79-18-17-50-35(59)13-16-51-43(62)40(61)46(3,4)22-72-78(69,70)75-77(67,68)71-21-34-39(74-76(64,65)66)38(60)44(73-34)55-24-54-37-41(49)52-23-53-42(37)55/h23-34,36,38-40,44,56-58,60-61H,7-22H2,1-6H3,(H,50,59)(H,51,62)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/p-4/t25-,26?,27+,28-,29-,30+,31+,32?,33-,34-,36+,38-,39-,40+,44-,47-,48+/m1/s1 3D Structure for NP0339978 ((24R,25R)-3α,7α,24-trihydroxy-5β-cholestanoyl CoA) | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C48H76N7O20P3S | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1196.1500 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1195.41006 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (Z,2R)-N-{2-[(Z)-(2-{[(6R)-6-[(1R,3aS,3bR,4R,5aS,7R,9aR,9bS,11aS)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-3-hydroxy-2-methylheptanoyl]sulfanyl}ethyl)carboximidato]ethyl}-4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethylbutanimidate | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (Z,2R)-N-{2-[(Z)-(2-{[(6R)-6-[(1R,3aS,3bR,4R,5aS,7R,9aR,9bS,11aS)-4,7-dihydroxy-9a,11a-dimethyl-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]-3-hydroxy-2-methylheptanoyl]sulfanyl}ethyl)carboximidato]ethyl}-4-[({[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-2-hydroxy-3,3-dimethylbutanimidate | |||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | [H][C@@](C)(CCC([H])(O)C([H])(C)C(=O)SCC\N=C(/[O-])CC\N=C(/[O-])[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP([O-])([O-])=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@@]4(C)[C@@]3([H])CC[C@@]12C | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C48H80N7O20P3S/c1-25(29-8-9-30-36-31(12-15-48(29,30)6)47(5)14-11-28(56)19-27(47)20-33(36)58)7-10-32(57)26(2)45(63)79-18-17-50-35(59)13-16-51-43(62)40(61)46(3,4)22-72-78(69,70)75-77(67,68)71-21-34-39(74-76(64,65)66)38(60)44(73-34)55-24-54-37-41(49)52-23-53-42(37)55/h23-34,36,38-40,44,56-58,60-61H,7-22H2,1-6H3,(H,50,59)(H,51,62)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/p-4/t25-,26?,27+,28-,29-,30+,31+,32?,33-,34-,36+,38-,39-,40+,44-,47-,48+/m1/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | SZBMUAIJWNJARR-QBMFOUIGSA-J | |||||||||||||||||||||||||||||||||||||||||||||||||||
| 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 |
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| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
