Showing NP-Card for Glenthmycin C (NP0331396)
| Record Information | ||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | |||||||||||||||
| Created at | 2022-12-23 12:07:29 UTC | |||||||||||||||
| Updated at | 2024-09-03 04:15:39 UTC | |||||||||||||||
| NP-MRD ID | NP0331396 | |||||||||||||||
| Natural Product DOI | https://doi.org/10.57994/0345 | |||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||
| Natural Product Identification | ||||||||||||||||
| Common Name | Glenthmycin C | |||||||||||||||
| Description | Glenthmycin C was first documented in 2022 (PMID: 35640100). | |||||||||||||||
| Structure |  MOL for NP0331396 (Glenthmycin C)
Mrv1652312232213072D
66 72 0 0 1 0 999 V2000
4.4814 -2.9041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5756 -1.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7831 -1.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0379 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6410 -0.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8628 0.4270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7000 -0.6533 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.0925 0.1506 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.3236 1.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9162 1.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3653 2.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6844 2.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5453 2.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2744 1.8320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9762 1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6289 1.9040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0825 0.5264 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.2991 0.7849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8837 0.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5954 0.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1140 -0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5430 -1.0581 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.7733 -1.8503 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.6183 -2.0348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8047 -2.8392 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.5939 -3.0797 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
10.1968 -2.5165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7802 -3.8834 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
10.5694 -4.1239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1773 -4.4466 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.3636 -5.2503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7608 -5.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9471 -6.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7362 -6.8576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3391 -6.2945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.9225 -7.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3197 -8.2245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5060 -9.0282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9031 -9.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5305 -7.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3442 -7.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5550 -6.9398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9716 -5.5730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3882 -4.2061 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.7853 -4.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2019 -3.4024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2023 -2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4011 -2.2491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0560 -1.4364 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.3985 -0.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9721 -1.6536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7418 -0.8614 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.3128 -0.2658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5116 -0.0691 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.9062 -0.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5565 -1.3485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2723 -0.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2722 0.2381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1182 -0.7185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1363 -0.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9944 -1.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7883 -2.4243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6046 -2.8109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4509 0.0738 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.3838 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7469 0.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
2 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
7 3 1 6 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
15 17 1 0 0 0 0
17 18 1 1 0 0 0
17 19 1 0 0 0 0
19 20 1 0 0 0 0
19 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 6 0 0 0
26 28 1 0 0 0 0
28 29 1 6 0 0 0
28 30 1 0 0 0 0
30 31 1 6 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
34 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
37 40 1 0 0 0 0
40 41 2 0 0 0 0
33 41 1 0 0 0 0
41 42 1 0 0 0 0
32 43 2 0 0 0 0
30 44 1 0 0 0 0
44 45 1 1 0 0 0
44 46 1 0 0 0 0
25 46 1 0 0 0 0
23 47 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
49 50 1 6 0 0 0
22 51 1 1 0 0 0
22 52 1 0 0 0 0
49 52 1 0 0 0 0
52 53 1 6 0 0 0
52 54 1 0 0 0 0
17 54 1 0 0 0 0
54 55 1 0 0 0 0
4 55 1 0 0 0 0
55 56 2 0 0 0 0
54 57 1 1 0 0 0
8 58 1 6 0 0 0
8 59 1 0 0 0 0
59 60 2 0 0 0 0
60 61 1 0 0 0 0
61 62 1 0 0 0 0
61 63 2 0 0 0 0
60 64 1 0 0 0 0
64 65 1 1 0 0 0
64 66 1 0 0 0 0
7 66 1 0 0 0 0
M END
3D SDF for NP0331396 (Glenthmycin C)
Mrv1652312232213072D
66 72 0 0 1 0 999 V2000
4.4814 -2.9041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5756 -1.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7831 -1.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0379 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6410 -0.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8628 0.4270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7000 -0.6533 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.0925 0.1506 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.3236 1.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9162 1.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3653 2.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6844 2.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5453 2.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2744 1.8320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9762 1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6289 1.9040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0825 0.5264 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.2991 0.7849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8837 0.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5954 0.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1140 -0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5430 -1.0581 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.7733 -1.8503 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.6183 -2.0348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8047 -2.8392 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.5939 -3.0797 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
10.1968 -2.5165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7802 -3.8834 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
10.5694 -4.1239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1773 -4.4466 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.3636 -5.2503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7608 -5.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9471 -6.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7362 -6.8576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3391 -6.2945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.9225 -7.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3197 -8.2245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5060 -9.0282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9031 -9.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5305 -7.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3442 -7.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5550 -6.9398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9716 -5.5730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3882 -4.2061 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.7853 -4.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2019 -3.4024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2023 -2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4011 -2.2491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0560 -1.4364 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.3985 -0.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9721 -1.6536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7418 -0.8614 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.3128 -0.2658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5116 -0.0691 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.9062 -0.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5565 -1.3485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2723 -0.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2722 0.2381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1182 -0.7185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1363 -0.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9944 -1.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7883 -2.4243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6046 -2.8109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4509 0.0738 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.3838 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7469 0.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
2 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
7 3 1 6 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
15 17 1 0 0 0 0
17 18 1 1 0 0 0
17 19 1 0 0 0 0
19 20 1 0 0 0 0
19 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 6 0 0 0
26 28 1 0 0 0 0
28 29 1 6 0 0 0
28 30 1 0 0 0 0
30 31 1 6 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
34 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
37 40 1 0 0 0 0
40 41 2 0 0 0 0
33 41 1 0 0 0 0
41 42 1 0 0 0 0
32 43 2 0 0 0 0
30 44 1 0 0 0 0
44 45 1 1 0 0 0
44 46 1 0 0 0 0
25 46 1 0 0 0 0
23 47 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
49 50 1 6 0 0 0
22 51 1 1 0 0 0
22 52 1 0 0 0 0
49 52 1 0 0 0 0
52 53 1 6 0 0 0
52 54 1 0 0 0 0
17 54 1 0 0 0 0
54 55 1 0 0 0 0
4 55 1 0 0 0 0
55 56 2 0 0 0 0
54 57 1 1 0 0 0
8 58 1 6 0 0 0
8 59 1 0 0 0 0
59 60 2 0 0 0 0
60 61 1 0 0 0 0
61 62 1 0 0 0 0
61 63 2 0 0 0 0
60 64 1 0 0 0 0
64 65 1 1 0 0 0
64 66 1 0 0 0 0
7 66 1 0 0 0 0
M END
> <DATABASE_ID>
NP0331396
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H][C@]12C=C(C)[C@@]3([H])C(C)=CCC\C(C)=C/[C@]4([H])C=C([C@H](C)C[C@]44OC(=O)C(=C4O)C(=O)[C@@]3(C)[C@]1([H])[C@@H](C)CC[C@@H]2O[C@@H]1O[C@H](C)[C@@H](OC(=O)C2=C(O)C=C(OC)C=C2C)[C@@H](O)[C@H]1O)C(O)=O
> <INCHI_IDENTIFIER>
InChI=1S/C48H60O14/c1-21-11-10-12-22(2)36-25(5)17-31-33(60-46-39(51)38(50)40(27(7)59-46)61-44(56)34-24(4)16-29(58-9)19-32(34)49)14-13-23(3)37(31)47(36,8)41(52)35-42(53)48(62-45(35)57)20-26(6)30(43(54)55)18-28(48)15-21/h12,15-19,23,26-28,31,33,36-40,46,49-51,53H,10-11,13-14,20H2,1-9H3,(H,54,55)/b21-15-,22-12-/t23-,26+,27+,28+,31+,33-,36+,37+,38-,39+,40+,46-,47+,48-/m0/s1
> <INCHI_KEY>
APQAGSZRLFDCDS-HWPUOLRRSA-N
> <FORMULA>
C48H60O14
> <MOLECULAR_WEIGHT>
860.994
> <EXACT_MASS>
860.398306612
$$$$
PDB for NP0331396 (Glenthmycin C)HEADER PROTEIN 23-DEC-22 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 23-DEC-22 0 HETATM 1 O UNK 0 8.365 -5.421 0.000 0.00 0.00 O+0 HETATM 2 C UNK 0 8.541 -3.536 0.000 0.00 0.00 C+0 HETATM 3 O UNK 0 7.062 -2.847 0.000 0.00 0.00 O+0 HETATM 4 C UNK 0 9.404 -2.085 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 8.663 -0.942 0.000 0.00 0.00 C+0 HETATM 6 O UNK 0 9.077 0.797 0.000 0.00 0.00 O+0 HETATM 7 C UNK 0 6.907 -1.219 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 5.773 0.281 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 6.204 2.029 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 7.310 3.330 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 6.282 4.553 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 8.744 4.143 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 10.351 4.251 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 11.712 3.420 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 13.022 2.537 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 14.241 3.554 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 13.221 0.983 0.000 0.00 0.00 C+0 HETATM 18 H UNK 0 11.758 1.465 0.000 0.00 0.00 H+0 HETATM 19 C UNK 0 14.716 0.615 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 16.045 1.456 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 15.146 -0.863 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 14.080 -1.975 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 14.510 -3.454 0.000 0.00 0.00 C+0 HETATM 24 O UNK 0 16.087 -3.798 0.000 0.00 0.00 O+0 HETATM 25 C UNK 0 16.436 -5.300 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 17.909 -5.749 0.000 0.00 0.00 C+0 HETATM 27 O UNK 0 19.034 -4.697 0.000 0.00 0.00 O+0 HETATM 28 C UNK 0 18.256 -7.249 0.000 0.00 0.00 C+0 HETATM 29 O UNK 0 19.729 -7.698 0.000 0.00 0.00 O+0 HETATM 30 C UNK 0 17.131 -8.300 0.000 0.00 0.00 C+0 HETATM 31 O UNK 0 17.479 -9.801 0.000 0.00 0.00 O+0 HETATM 32 C UNK 0 16.353 -10.852 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 16.701 -12.352 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 18.174 -12.801 0.000 0.00 0.00 C+0 HETATM 35 O UNK 0 19.300 -11.750 0.000 0.00 0.00 O+0 HETATM 36 C UNK 0 18.522 -14.301 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 17.397 -15.352 0.000 0.00 0.00 C+0 HETATM 38 O UNK 0 17.745 -16.853 0.000 0.00 0.00 O+0 HETATM 39 C UNK 0 16.619 -17.904 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 15.924 -14.904 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 15.576 -13.403 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 14.103 -12.954 0.000 0.00 0.00 C+0 HETATM 43 O UNK 0 14.880 -10.403 0.000 0.00 0.00 O+0 HETATM 44 C UNK 0 15.658 -7.851 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 14.533 -8.903 0.000 0.00 0.00 C+0 HETATM 46 O UNK 0 15.310 -6.351 0.000 0.00 0.00 O+0 HETATM 47 C UNK 0 13.444 -4.565 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 11.949 -4.198 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 11.305 -2.681 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 10.077 -1.485 0.000 0.00 0.00 C+0 HETATM 51 H UNK 0 13.015 -3.087 0.000 0.00 0.00 H+0 HETATM 52 C UNK 0 12.585 -1.608 0.000 0.00 0.00 C+0 HETATM 53 H UNK 0 13.651 -0.496 0.000 0.00 0.00 H+0 HETATM 54 C UNK 0 12.155 -0.129 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 11.025 -1.300 0.000 0.00 0.00 C+0 HETATM 56 O UNK 0 12.239 -2.517 0.000 0.00 0.00 O+0 HETATM 57 C UNK 0 11.708 -1.854 0.000 0.00 0.00 C+0 HETATM 58 H UNK 0 4.241 0.444 0.000 0.00 0.00 H+0 HETATM 59 C UNK 0 5.821 -1.341 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 7.721 -1.543 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 7.456 -3.668 0.000 0.00 0.00 C+0 HETATM 62 O UNK 0 8.938 -4.525 0.000 0.00 0.00 O+0 HETATM 63 O UNK 0 6.729 -5.247 0.000 0.00 0.00 O+0 HETATM 64 C UNK 0 8.308 0.138 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 10.050 0.350 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 6.994 0.707 0.000 0.00 0.00 C+0 CONECT 1 2 CONECT 2 1 3 4 CONECT 3 2 7 CONECT 4 2 5 55 CONECT 5 4 6 7 CONECT 6 5 CONECT 7 5 3 8 66 CONECT 8 7 9 58 59 CONECT 9 8 10 CONECT 10 9 11 12 CONECT 11 10 CONECT 12 10 13 CONECT 13 12 14 CONECT 14 13 15 CONECT 15 14 16 17 CONECT 16 15 CONECT 17 15 18 19 54 CONECT 18 17 CONECT 19 17 20 21 CONECT 20 19 CONECT 21 19 22 CONECT 22 21 23 51 52 CONECT 23 22 24 47 CONECT 24 23 25 CONECT 25 24 26 46 CONECT 26 25 27 28 CONECT 27 26 CONECT 28 26 29 30 CONECT 29 28 CONECT 30 28 31 44 CONECT 31 30 32 CONECT 32 31 33 43 CONECT 33 32 34 41 CONECT 34 33 35 36 CONECT 35 34 CONECT 36 34 37 CONECT 37 36 38 40 CONECT 38 37 39 CONECT 39 38 CONECT 40 37 41 CONECT 41 40 33 42 CONECT 42 41 CONECT 43 32 CONECT 44 30 45 46 CONECT 45 44 CONECT 46 44 25 CONECT 47 23 48 CONECT 48 47 49 CONECT 49 48 50 52 CONECT 50 49 CONECT 51 22 CONECT 52 22 49 53 54 CONECT 53 52 CONECT 54 52 17 55 57 CONECT 55 54 4 56 CONECT 56 55 CONECT 57 54 CONECT 58 8 CONECT 59 8 60 CONECT 60 59 61 64 CONECT 61 60 62 63 CONECT 62 61 CONECT 63 61 CONECT 64 60 65 66 CONECT 65 64 CONECT 66 64 7 MASTER 0 0 0 0 0 0 0 0 66 0 144 0 END SMILES for NP0331396 (Glenthmycin C)[H][C@]12C=C(C)[C@@]3([H])C(C)=CCC\C(C)=C/[C@]4([H])C=C([C@H](C)C[C@]44OC(=O)C(=C4O)C(=O)[C@@]3(C)[C@]1([H])[C@@H](C)CC[C@@H]2O[C@@H]1O[C@H](C)[C@@H](OC(=O)C2=C(O)C=C(OC)C=C2C)[C@@H](O)[C@H]1O)C(O)=O INCHI for NP0331396 (Glenthmycin C)InChI=1S/C48H60O14/c1-21-11-10-12-22(2)36-25(5)17-31-33(60-46-39(51)38(50)40(27(7)59-46)61-44(56)34-24(4)16-29(58-9)19-32(34)49)14-13-23(3)37(31)47(36,8)41(52)35-42(53)48(62-45(35)57)20-26(6)30(43(54)55)18-28(48)15-21/h12,15-19,23,26-28,31,33,36-40,46,49-51,53H,10-11,13-14,20H2,1-9H3,(H,54,55)/b21-15-,22-12-/t23-,26+,27+,28+,31+,33-,36+,37+,38-,39+,40+,46-,47+,48-/m0/s1 3D Structure for NP0331396 (Glenthmycin C) | |||||||||||||||
| Synonyms | Not Available | |||||||||||||||
| Chemical Formula | C48H60O14 | |||||||||||||||
| Average Mass | 860.9940 Da | |||||||||||||||
| Monoisotopic Mass | 860.39831 Da | |||||||||||||||
| IUPAC Name | Not Available | |||||||||||||||
| Traditional Name | Not Available | |||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||
| SMILES | [H][C@]12C=C(C)[C@@]3([H])C(C)=CCC\C(C)=C/[C@]4([H])C=C([C@H](C)C[C@]44OC(=O)C(=C4O)C(=O)[C@@]3(C)[C@]1([H])[C@@H](C)CC[C@@H]2O[C@@H]1O[C@H](C)[C@@H](OC(=O)C2=C(O)C=C(OC)C=C2C)[C@@H](O)[C@H]1O)C(O)=O | |||||||||||||||
| InChI Identifier | InChI=1S/C48H60O14/c1-21-11-10-12-22(2)36-25(5)17-31-33(60-46-39(51)38(50)40(27(7)59-46)61-44(56)34-24(4)16-29(58-9)19-32(34)49)14-13-23(3)37(31)47(36,8)41(52)35-42(53)48(62-45(35)57)20-26(6)30(43(54)55)18-28(48)15-21/h12,15-19,23,26-28,31,33,36-40,46,49-51,53H,10-11,13-14,20H2,1-9H3,(H,54,55)/b21-15-,22-12-/t23-,26+,27+,28+,31+,33-,36+,37+,38-,39+,40+,46-,47+,48-/m0/s1 | |||||||||||||||
| InChI Key | APQAGSZRLFDCDS-HWPUOLRRSA-N | |||||||||||||||
| Experimental Spectra | ||||||||||||||||
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| Predicted Spectra | ||||||||||||||||
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| Chemical Shift Submissions | ||||||||||||||||
| Not Available | ||||||||||||||||
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| Chemical Taxonomy | ||||||||||||||||
| Classification | Not classified | |||||||||||||||
| Physical Properties | ||||||||||||||||
| State | Not Available | |||||||||||||||
| Experimental Properties |
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| External Links | ||||||||||||||||
| External Links | Not Available | |||||||||||||||
| References | ||||||||||||||||
| General References | Not Available | |||||||||||||||
