Showing NP-Card for Salinipostin H (NP0013687)
| Record Information | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-05 22:58:52 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:15:11 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0013687 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Salinipostin H | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Salinipostin H is found in Salinispora sp. Based on a literature review very few articles have been published on (3R,8aS)-5-propyl-3-(tridecyloxy)-1H,3H,6H,8H,8aH-3λ⁵-furo[3,4-e][1,3,2]dioxaphosphepine-3,6-dione. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure | MOL for NP0013687 (Salinipostin H)
Mrv1652306242119493D
68 69 0 0 0 0 999 V2000
-7.2243 3.4043 1.9024 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5938 2.0896 2.3323 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.4586 1.2315 1.1201 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.8422 -0.1130 1.3936 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.4691 -0.0547 1.9613 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.5328 0.6543 1.0465 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.4181 -0.0159 -0.3066 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4443 0.7387 -1.1932 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.3340 0.0925 -2.5420 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.8442 -1.3209 -2.4029 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.4866 -1.3115 -1.7364 C 0 0 1 0 0 0 0 0 0 0 0 0
0.0092 -2.7455 -1.6079 C 0 0 1 0 0 0 0 0 0 0 0 0
1.3733 -2.7587 -0.9475 C 0 0 2 0 0 0 0 0 0 0 0 0
2.2487 -2.0230 -1.7429 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7945 -2.0065 -1.0583 P 0 0 2 0 0 5 0 0 0 0 0 0
4.6990 -2.7107 -2.0803 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7618 -2.8175 0.3907 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9400 -1.9164 1.4304 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4337 -1.7254 1.5754 C 0 0 2 0 0 0 0 0 0 0 0 0
5.7959 -1.4683 3.0191 C 0 0 1 0 0 0 0 0 0 0 0 0
7.0097 -0.6970 2.9477 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8329 0.1567 1.8501 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4388 1.2132 1.6908 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8391 -0.4031 0.9604 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3934 0.1753 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9094 1.4657 -0.5816 C 0 0 2 0 0 0 0 0 0 0 0 0
4.8566 2.5563 -0.5805 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7528 2.0977 -1.5287 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4010 -0.4164 -0.9313 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.6246 3.8499 1.0584 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1593 4.1441 2.7316 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2706 3.2769 1.6147 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6543 2.3323 2.8293 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3330 1.6129 3.0377 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9390 1.7707 0.3123 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4976 1.0299 0.7422 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8227 -0.6827 0.4455 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4730 -0.7223 2.0829 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4293 0.3078 3.0063 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1077 -1.1246 2.0225 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8847 1.7037 0.8308 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5273 0.6783 1.5257 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1830 -1.0657 -0.1699 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4312 0.0406 -0.8005 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4740 0.8816 -0.7127 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8477 1.7839 -1.3841 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6811 0.6875 -3.2323 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3613 0.0547 -3.0031 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5555 -1.9508 -1.8354 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7650 -1.8209 -3.4047 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2182 -0.6729 -2.2814 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6140 -0.9293 -0.6857 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6918 -3.3257 -1.0024 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0672 -3.1665 -2.6165 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7057 -3.8217 -0.8736 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2994 -2.3554 0.0685 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4971 -0.9233 1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5715 -2.3681 2.3946 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0335 -2.5549 1.2066 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0142 -0.8728 3.5270 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9881 -2.3996 3.5883 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0213 1.3150 -1.7269 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9108 1.7615 -0.3399 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3189 3.4407 -1.0689 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4010 2.7365 0.3811 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1887 1.5150 -2.3720 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2461 2.9866 -1.8980 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0040 1.4758 -0.9718 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 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
10 11 1 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
15 14 1 6 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
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
25 29 1 0 0 0 0
29 15 1 0 0 0 0
24 19 1 0 0 0 0
1 30 1 0 0 0 0
1 31 1 0 0 0 0
1 32 1 0 0 0 0
2 33 1 0 0 0 0
2 34 1 0 0 0 0
3 35 1 0 0 0 0
3 36 1 0 0 0 0
4 37 1 0 0 0 0
4 38 1 0 0 0 0
5 39 1 0 0 0 0
5 40 1 0 0 0 0
6 41 1 0 0 0 0
6 42 1 0 0 0 0
7 43 1 0 0 0 0
7 44 1 0 0 0 0
8 45 1 0 0 0 0
8 46 1 0 0 0 0
9 47 1 0 0 0 0
9 48 1 0 0 0 0
10 49 1 0 0 0 0
10 50 1 0 0 0 0
11 51 1 0 0 0 0
11 52 1 0 0 0 0
12 53 1 0 0 0 0
12 54 1 0 0 0 0
13 55 1 0 0 0 0
13 56 1 0 0 0 0
18 57 1 0 0 0 0
18 58 1 0 0 0 0
19 59 1 6 0 0 0
20 60 1 0 0 0 0
20 61 1 0 0 0 0
26 62 1 0 0 0 0
26 63 1 0 0 0 0
27 64 1 0 0 0 0
27 65 1 0 0 0 0
28 66 1 0 0 0 0
28 67 1 0 0 0 0
28 68 1 0 0 0 0
M END
3D MOL for NP0013687 (Salinipostin H)
RDKit 3D
68 69 0 0 0 0 0 0 0 0999 V2000
-7.2243 3.4043 1.9024 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5938 2.0896 2.3323 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4586 1.2315 1.1201 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8422 -0.1130 1.3936 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4691 -0.0547 1.9613 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5328 0.6543 1.0465 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4181 -0.0159 -0.3066 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4443 0.7387 -1.1932 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3340 0.0925 -2.5420 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8442 -1.3209 -2.4029 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4866 -1.3115 -1.7364 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0092 -2.7455 -1.6079 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3733 -2.7587 -0.9475 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2487 -2.0230 -1.7429 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7945 -2.0065 -1.0583 P 0 0 2 0 0 5 0 0 0 0 0 0
4.6990 -2.7107 -2.0803 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7618 -2.8175 0.3907 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9400 -1.9164 1.4304 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4337 -1.7254 1.5754 C 0 0 2 0 0 0 0 0 0 0 0 0
5.7959 -1.4683 3.0191 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0097 -0.6970 2.9477 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8329 0.1567 1.8501 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4388 1.2132 1.6908 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8391 -0.4031 0.9604 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3934 0.1753 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9094 1.4657 -0.5816 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8566 2.5563 -0.5805 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7528 2.0977 -1.5287 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4010 -0.4164 -0.9313 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.6246 3.8499 1.0584 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1593 4.1441 2.7316 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2706 3.2769 1.6147 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6543 2.3323 2.8293 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3330 1.6129 3.0377 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9390 1.7707 0.3123 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4976 1.0299 0.7422 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8227 -0.6827 0.4455 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4730 -0.7223 2.0829 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4293 0.3078 3.0063 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1077 -1.1246 2.0225 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8847 1.7037 0.8308 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5273 0.6783 1.5257 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1830 -1.0657 -0.1699 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4312 0.0406 -0.8005 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4740 0.8816 -0.7127 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8477 1.7839 -1.3841 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6811 0.6875 -3.2323 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3613 0.0547 -3.0031 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5555 -1.9508 -1.8354 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7650 -1.8209 -3.4047 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2182 -0.6729 -2.2814 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6140 -0.9293 -0.6857 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6918 -3.3257 -1.0024 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0672 -3.1665 -2.6165 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7057 -3.8217 -0.8736 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2994 -2.3554 0.0685 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4971 -0.9233 1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5715 -2.3681 2.3946 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0335 -2.5549 1.2066 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0142 -0.8728 3.5270 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9881 -2.3996 3.5883 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0213 1.3150 -1.7269 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9108 1.7615 -0.3399 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3189 3.4407 -1.0689 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4010 2.7365 0.3811 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1887 1.5150 -2.3720 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2461 2.9866 -1.8980 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0040 1.4758 -0.9718 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
15 14 1 6
15 16 2 0
15 17 1 0
17 18 1 0
18 19 1 0
19 20 1 0
20 21 1 0
21 22 1 0
22 23 2 0
22 24 1 0
24 25 2 0
25 26 1 0
26 27 1 0
27 28 1 0
25 29 1 0
29 15 1 0
24 19 1 0
1 30 1 0
1 31 1 0
1 32 1 0
2 33 1 0
2 34 1 0
3 35 1 0
3 36 1 0
4 37 1 0
4 38 1 0
5 39 1 0
5 40 1 0
6 41 1 0
6 42 1 0
7 43 1 0
7 44 1 0
8 45 1 0
8 46 1 0
9 47 1 0
9 48 1 0
10 49 1 0
10 50 1 0
11 51 1 0
11 52 1 0
12 53 1 0
12 54 1 0
13 55 1 0
13 56 1 0
18 57 1 0
18 58 1 0
19 59 1 6
20 60 1 0
20 61 1 0
26 62 1 0
26 63 1 0
27 64 1 0
27 65 1 0
28 66 1 0
28 67 1 0
28 68 1 0
M END
3D SDF for NP0013687 (Salinipostin H)
Mrv1652306242119493D
68 69 0 0 0 0 999 V2000
-7.2243 3.4043 1.9024 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5938 2.0896 2.3323 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.4586 1.2315 1.1201 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.8422 -0.1130 1.3936 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.4691 -0.0547 1.9613 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.5328 0.6543 1.0465 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.4181 -0.0159 -0.3066 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4443 0.7387 -1.1932 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.3340 0.0925 -2.5420 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.8442 -1.3209 -2.4029 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.4866 -1.3115 -1.7364 C 0 0 1 0 0 0 0 0 0 0 0 0
0.0092 -2.7455 -1.6079 C 0 0 1 0 0 0 0 0 0 0 0 0
1.3733 -2.7587 -0.9475 C 0 0 2 0 0 0 0 0 0 0 0 0
2.2487 -2.0230 -1.7429 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7945 -2.0065 -1.0583 P 0 0 2 0 0 5 0 0 0 0 0 0
4.6990 -2.7107 -2.0803 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7618 -2.8175 0.3907 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9400 -1.9164 1.4304 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4337 -1.7254 1.5754 C 0 0 2 0 0 0 0 0 0 0 0 0
5.7959 -1.4683 3.0191 C 0 0 1 0 0 0 0 0 0 0 0 0
7.0097 -0.6970 2.9477 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8329 0.1567 1.8501 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4388 1.2132 1.6908 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8391 -0.4031 0.9604 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3934 0.1753 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9094 1.4657 -0.5816 C 0 0 2 0 0 0 0 0 0 0 0 0
4.8566 2.5563 -0.5805 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7528 2.0977 -1.5287 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4010 -0.4164 -0.9313 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.6246 3.8499 1.0584 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1593 4.1441 2.7316 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2706 3.2769 1.6147 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6543 2.3323 2.8293 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3330 1.6129 3.0377 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9390 1.7707 0.3123 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4976 1.0299 0.7422 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8227 -0.6827 0.4455 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4730 -0.7223 2.0829 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4293 0.3078 3.0063 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1077 -1.1246 2.0225 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8847 1.7037 0.8308 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5273 0.6783 1.5257 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1830 -1.0657 -0.1699 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4312 0.0406 -0.8005 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4740 0.8816 -0.7127 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8477 1.7839 -1.3841 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6811 0.6875 -3.2323 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3613 0.0547 -3.0031 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5555 -1.9508 -1.8354 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7650 -1.8209 -3.4047 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2182 -0.6729 -2.2814 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6140 -0.9293 -0.6857 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6918 -3.3257 -1.0024 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0672 -3.1665 -2.6165 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7057 -3.8217 -0.8736 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2994 -2.3554 0.0685 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4971 -0.9233 1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5715 -2.3681 2.3946 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0335 -2.5549 1.2066 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0142 -0.8728 3.5270 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9881 -2.3996 3.5883 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0213 1.3150 -1.7269 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9108 1.7615 -0.3399 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3189 3.4407 -1.0689 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4010 2.7365 0.3811 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1887 1.5150 -2.3720 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2461 2.9866 -1.8980 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0040 1.4758 -0.9718 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 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
10 11 1 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
15 14 1 6 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
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
25 29 1 0 0 0 0
29 15 1 0 0 0 0
24 19 1 0 0 0 0
1 30 1 0 0 0 0
1 31 1 0 0 0 0
1 32 1 0 0 0 0
2 33 1 0 0 0 0
2 34 1 0 0 0 0
3 35 1 0 0 0 0
3 36 1 0 0 0 0
4 37 1 0 0 0 0
4 38 1 0 0 0 0
5 39 1 0 0 0 0
5 40 1 0 0 0 0
6 41 1 0 0 0 0
6 42 1 0 0 0 0
7 43 1 0 0 0 0
7 44 1 0 0 0 0
8 45 1 0 0 0 0
8 46 1 0 0 0 0
9 47 1 0 0 0 0
9 48 1 0 0 0 0
10 49 1 0 0 0 0
10 50 1 0 0 0 0
11 51 1 0 0 0 0
11 52 1 0 0 0 0
12 53 1 0 0 0 0
12 54 1 0 0 0 0
13 55 1 0 0 0 0
13 56 1 0 0 0 0
18 57 1 0 0 0 0
18 58 1 0 0 0 0
19 59 1 6 0 0 0
20 60 1 0 0 0 0
20 61 1 0 0 0 0
26 62 1 0 0 0 0
26 63 1 0 0 0 0
27 64 1 0 0 0 0
27 65 1 0 0 0 0
28 66 1 0 0 0 0
28 67 1 0 0 0 0
28 68 1 0 0 0 0
M END
> <DATABASE_ID>
NP0013687
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]C([H])([H])C([H])([H])C([H])([H])C1=C2C(=O)OC([H])([H])[C@@]2([H])C([H])([H])O[P@@](=O)(OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O1
> <INCHI_IDENTIFIER>
InChI=1S/C22H39O6P/c1-3-5-6-7-8-9-10-11-12-13-14-16-26-29(24)27-18-19-17-25-22(23)21(19)20(28-29)15-4-2/h19H,3-18H2,1-2H3/t19-,29+/m0/s1
> <INCHI_KEY>
SHCZNZOCEWPGPW-ADXZGYQBSA-N
> <FORMULA>
C22H39O6P
> <MOLECULAR_WEIGHT>
430.522
> <EXACT_MASS>
430.248425974
> <JCHEM_ACCEPTOR_COUNT>
2
> <JCHEM_ATOM_COUNT>
68
> <JCHEM_AVERAGE_POLARIZABILITY>
48.6968468364812
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
0
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(3R,8aS)-5-propyl-3-(tridecyloxy)-1H,3H,6H,8H,8aH-3lambda5-furo[3,4-e][1,3,2]dioxaphosphepine-3,6-dione
> <ALOGPS_LOGP>
5.64
> <JCHEM_LOGP>
6.198711558666666
> <ALOGPS_LOGS>
-5.37
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
2
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA_STRONGEST_BASIC>
-6.985011325395944
> <JCHEM_POLAR_SURFACE_AREA>
71.06
> <JCHEM_REFRACTIVITY>
114.76809999999998
> <JCHEM_ROTATABLE_BOND_COUNT>
15
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
1.84e-03 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(3R,8aS)-5-propyl-3-(tridecyloxy)-1H,8H,8aH-3lambda5-furo[3,4-e][1,3,2]dioxaphosphepine-3,6-dione
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0013687 (Salinipostin H)
RDKit 3D
68 69 0 0 0 0 0 0 0 0999 V2000
-7.2243 3.4043 1.9024 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5938 2.0896 2.3323 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4586 1.2315 1.1201 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8422 -0.1130 1.3936 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4691 -0.0547 1.9613 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5328 0.6543 1.0465 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4181 -0.0159 -0.3066 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4443 0.7387 -1.1932 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3340 0.0925 -2.5420 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8442 -1.3209 -2.4029 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4866 -1.3115 -1.7364 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0092 -2.7455 -1.6079 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3733 -2.7587 -0.9475 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2487 -2.0230 -1.7429 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7945 -2.0065 -1.0583 P 0 0 2 0 0 5 0 0 0 0 0 0
4.6990 -2.7107 -2.0803 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7618 -2.8175 0.3907 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9400 -1.9164 1.4304 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4337 -1.7254 1.5754 C 0 0 2 0 0 0 0 0 0 0 0 0
5.7959 -1.4683 3.0191 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0097 -0.6970 2.9477 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8329 0.1567 1.8501 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4388 1.2132 1.6908 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8391 -0.4031 0.9604 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3934 0.1753 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9094 1.4657 -0.5816 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8566 2.5563 -0.5805 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7528 2.0977 -1.5287 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4010 -0.4164 -0.9313 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.6246 3.8499 1.0584 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1593 4.1441 2.7316 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2706 3.2769 1.6147 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6543 2.3323 2.8293 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3330 1.6129 3.0377 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9390 1.7707 0.3123 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4976 1.0299 0.7422 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8227 -0.6827 0.4455 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4730 -0.7223 2.0829 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4293 0.3078 3.0063 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1077 -1.1246 2.0225 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8847 1.7037 0.8308 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5273 0.6783 1.5257 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1830 -1.0657 -0.1699 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4312 0.0406 -0.8005 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4740 0.8816 -0.7127 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8477 1.7839 -1.3841 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6811 0.6875 -3.2323 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3613 0.0547 -3.0031 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5555 -1.9508 -1.8354 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7650 -1.8209 -3.4047 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2182 -0.6729 -2.2814 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6140 -0.9293 -0.6857 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6918 -3.3257 -1.0024 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0672 -3.1665 -2.6165 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7057 -3.8217 -0.8736 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2994 -2.3554 0.0685 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4971 -0.9233 1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5715 -2.3681 2.3946 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0335 -2.5549 1.2066 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0142 -0.8728 3.5270 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9881 -2.3996 3.5883 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0213 1.3150 -1.7269 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9108 1.7615 -0.3399 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3189 3.4407 -1.0689 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4010 2.7365 0.3811 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1887 1.5150 -2.3720 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2461 2.9866 -1.8980 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0040 1.4758 -0.9718 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
15 14 1 6
15 16 2 0
15 17 1 0
17 18 1 0
18 19 1 0
19 20 1 0
20 21 1 0
21 22 1 0
22 23 2 0
22 24 1 0
24 25 2 0
25 26 1 0
26 27 1 0
27 28 1 0
25 29 1 0
29 15 1 0
24 19 1 0
1 30 1 0
1 31 1 0
1 32 1 0
2 33 1 0
2 34 1 0
3 35 1 0
3 36 1 0
4 37 1 0
4 38 1 0
5 39 1 0
5 40 1 0
6 41 1 0
6 42 1 0
7 43 1 0
7 44 1 0
8 45 1 0
8 46 1 0
9 47 1 0
9 48 1 0
10 49 1 0
10 50 1 0
11 51 1 0
11 52 1 0
12 53 1 0
12 54 1 0
13 55 1 0
13 56 1 0
18 57 1 0
18 58 1 0
19 59 1 6
20 60 1 0
20 61 1 0
26 62 1 0
26 63 1 0
27 64 1 0
27 65 1 0
28 66 1 0
28 67 1 0
28 68 1 0
M END
PDB for NP0013687 (Salinipostin H)HEADER PROTEIN 24-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 24-JUN-21 0 HETATM 1 C UNK 0 -7.224 3.404 1.902 0.00 0.00 C+0 HETATM 2 C UNK 0 -6.594 2.090 2.332 0.00 0.00 C+0 HETATM 3 C UNK 0 -6.459 1.232 1.120 0.00 0.00 C+0 HETATM 4 C UNK 0 -5.842 -0.113 1.394 0.00 0.00 C+0 HETATM 5 C UNK 0 -4.469 -0.055 1.961 0.00 0.00 C+0 HETATM 6 C UNK 0 -3.533 0.654 1.046 0.00 0.00 C+0 HETATM 7 C UNK 0 -3.418 -0.016 -0.307 0.00 0.00 C+0 HETATM 8 C UNK 0 -2.444 0.739 -1.193 0.00 0.00 C+0 HETATM 9 C UNK 0 -2.334 0.093 -2.542 0.00 0.00 C+0 HETATM 10 C UNK 0 -1.844 -1.321 -2.403 0.00 0.00 C+0 HETATM 11 C UNK 0 -0.487 -1.312 -1.736 0.00 0.00 C+0 HETATM 12 C UNK 0 0.009 -2.745 -1.608 0.00 0.00 C+0 HETATM 13 C UNK 0 1.373 -2.759 -0.948 0.00 0.00 C+0 HETATM 14 O UNK 0 2.249 -2.023 -1.743 0.00 0.00 O+0 HETATM 15 P UNK 0 3.795 -2.006 -1.058 0.00 0.00 P+0 HETATM 16 O UNK 0 4.699 -2.711 -2.080 0.00 0.00 O+0 HETATM 17 O UNK 0 3.762 -2.817 0.391 0.00 0.00 O+0 HETATM 18 C UNK 0 3.940 -1.916 1.430 0.00 0.00 C+0 HETATM 19 C UNK 0 5.434 -1.725 1.575 0.00 0.00 C+0 HETATM 20 C UNK 0 5.796 -1.468 3.019 0.00 0.00 C+0 HETATM 21 O UNK 0 7.010 -0.697 2.948 0.00 0.00 O+0 HETATM 22 C UNK 0 6.833 0.157 1.850 0.00 0.00 C+0 HETATM 23 O UNK 0 7.439 1.213 1.691 0.00 0.00 O+0 HETATM 24 C UNK 0 5.839 -0.403 0.960 0.00 0.00 C+0 HETATM 25 C UNK 0 5.393 0.175 -0.136 0.00 0.00 C+0 HETATM 26 C UNK 0 5.909 1.466 -0.582 0.00 0.00 C+0 HETATM 27 C UNK 0 4.857 2.556 -0.581 0.00 0.00 C+0 HETATM 28 C UNK 0 3.753 2.098 -1.529 0.00 0.00 C+0 HETATM 29 O UNK 0 4.401 -0.416 -0.931 0.00 0.00 O+0 HETATM 30 H UNK 0 -6.625 3.850 1.058 0.00 0.00 H+0 HETATM 31 H UNK 0 -7.159 4.144 2.732 0.00 0.00 H+0 HETATM 32 H UNK 0 -8.271 3.277 1.615 0.00 0.00 H+0 HETATM 33 H UNK 0 -5.654 2.332 2.829 0.00 0.00 H+0 HETATM 34 H UNK 0 -7.333 1.613 3.038 0.00 0.00 H+0 HETATM 35 H UNK 0 -5.939 1.771 0.312 0.00 0.00 H+0 HETATM 36 H UNK 0 -7.498 1.030 0.742 0.00 0.00 H+0 HETATM 37 H UNK 0 -5.823 -0.683 0.446 0.00 0.00 H+0 HETATM 38 H UNK 0 -6.473 -0.722 2.083 0.00 0.00 H+0 HETATM 39 H UNK 0 -4.429 0.308 3.006 0.00 0.00 H+0 HETATM 40 H UNK 0 -4.108 -1.125 2.022 0.00 0.00 H+0 HETATM 41 H UNK 0 -3.885 1.704 0.831 0.00 0.00 H+0 HETATM 42 H UNK 0 -2.527 0.678 1.526 0.00 0.00 H+0 HETATM 43 H UNK 0 -3.183 -1.066 -0.170 0.00 0.00 H+0 HETATM 44 H UNK 0 -4.431 0.041 -0.801 0.00 0.00 H+0 HETATM 45 H UNK 0 -1.474 0.882 -0.713 0.00 0.00 H+0 HETATM 46 H UNK 0 -2.848 1.784 -1.384 0.00 0.00 H+0 HETATM 47 H UNK 0 -1.681 0.688 -3.232 0.00 0.00 H+0 HETATM 48 H UNK 0 -3.361 0.055 -3.003 0.00 0.00 H+0 HETATM 49 H UNK 0 -2.555 -1.951 -1.835 0.00 0.00 H+0 HETATM 50 H UNK 0 -1.765 -1.821 -3.405 0.00 0.00 H+0 HETATM 51 H UNK 0 0.218 -0.673 -2.281 0.00 0.00 H+0 HETATM 52 H UNK 0 -0.614 -0.929 -0.686 0.00 0.00 H+0 HETATM 53 H UNK 0 -0.692 -3.326 -1.002 0.00 0.00 H+0 HETATM 54 H UNK 0 0.067 -3.167 -2.616 0.00 0.00 H+0 HETATM 55 H UNK 0 1.706 -3.822 -0.874 0.00 0.00 H+0 HETATM 56 H UNK 0 1.299 -2.355 0.069 0.00 0.00 H+0 HETATM 57 H UNK 0 3.497 -0.923 1.235 0.00 0.00 H+0 HETATM 58 H UNK 0 3.571 -2.368 2.395 0.00 0.00 H+0 HETATM 59 H UNK 0 6.034 -2.555 1.207 0.00 0.00 H+0 HETATM 60 H UNK 0 5.014 -0.873 3.527 0.00 0.00 H+0 HETATM 61 H UNK 0 5.988 -2.400 3.588 0.00 0.00 H+0 HETATM 62 H UNK 0 6.021 1.315 -1.727 0.00 0.00 H+0 HETATM 63 H UNK 0 6.911 1.762 -0.340 0.00 0.00 H+0 HETATM 64 H UNK 0 5.319 3.441 -1.069 0.00 0.00 H+0 HETATM 65 H UNK 0 4.401 2.736 0.381 0.00 0.00 H+0 HETATM 66 H UNK 0 4.189 1.515 -2.372 0.00 0.00 H+0 HETATM 67 H UNK 0 3.246 2.987 -1.898 0.00 0.00 H+0 HETATM 68 H UNK 0 3.004 1.476 -0.972 0.00 0.00 H+0 CONECT 1 2 30 31 32 CONECT 2 1 3 33 34 CONECT 3 2 4 35 36 CONECT 4 3 5 37 38 CONECT 5 4 6 39 40 CONECT 6 5 7 41 42 CONECT 7 6 8 43 44 CONECT 8 7 9 45 46 CONECT 9 8 10 47 48 CONECT 10 9 11 49 50 CONECT 11 10 12 51 52 CONECT 12 11 13 53 54 CONECT 13 12 14 55 56 CONECT 14 13 15 CONECT 15 14 16 17 29 CONECT 16 15 CONECT 17 15 18 CONECT 18 17 19 57 58 CONECT 19 18 20 24 59 CONECT 20 19 21 60 61 CONECT 21 20 22 CONECT 22 21 23 24 CONECT 23 22 CONECT 24 22 25 19 CONECT 25 24 26 29 CONECT 26 25 27 62 63 CONECT 27 26 28 64 65 CONECT 28 27 66 67 68 CONECT 29 25 15 CONECT 30 1 CONECT 31 1 CONECT 32 1 CONECT 33 2 CONECT 34 2 CONECT 35 3 CONECT 36 3 CONECT 37 4 CONECT 38 4 CONECT 39 5 CONECT 40 5 CONECT 41 6 CONECT 42 6 CONECT 43 7 CONECT 44 7 CONECT 45 8 CONECT 46 8 CONECT 47 9 CONECT 48 9 CONECT 49 10 CONECT 50 10 CONECT 51 11 CONECT 52 11 CONECT 53 12 CONECT 54 12 CONECT 55 13 CONECT 56 13 CONECT 57 18 CONECT 58 18 CONECT 59 19 CONECT 60 20 CONECT 61 20 CONECT 62 26 CONECT 63 26 CONECT 64 27 CONECT 65 27 CONECT 66 28 CONECT 67 28 CONECT 68 28 MASTER 0 0 0 0 0 0 0 0 68 0 138 0 END SMILES for NP0013687 (Salinipostin H)[H]C([H])([H])C([H])([H])C([H])([H])C1=C2C(=O)OC([H])([H])[C@@]2([H])C([H])([H])O[P@@](=O)(OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O1 INCHI for NP0013687 (Salinipostin H)InChI=1S/C22H39O6P/c1-3-5-6-7-8-9-10-11-12-13-14-16-26-29(24)27-18-19-17-25-22(23)21(19)20(28-29)15-4-2/h19H,3-18H2,1-2H3/t19-,29+/m0/s1 3D Structure for NP0013687 (Salinipostin H) | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C22H39O6P | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 430.5220 Da | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 430.24843 Da | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (3R,8aS)-5-propyl-3-(tridecyloxy)-1H,3H,6H,8H,8aH-3lambda5-furo[3,4-e][1,3,2]dioxaphosphepine-3,6-dione | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (3R,8aS)-5-propyl-3-(tridecyloxy)-1H,8H,8aH-3lambda5-furo[3,4-e][1,3,2]dioxaphosphepine-3,6-dione | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CCCCCCCCCCCCCO[P@]1(=O)OC[C@@H]2COC(=O)C2=C(CCC)O1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C22H39O6P/c1-3-5-6-7-8-9-10-11-12-13-14-16-26-29(24)27-18-19-17-25-22(23)21(19)20(28-29)15-4-2/h19H,3-18H2,1-2H3/t19-,29+/m0/s1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | SHCZNZOCEWPGPW-ADXZGYQBSA-N | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Shift Submissions | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Taxonomy | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Classification | Not classified | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Properties |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA008595 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 35516697 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 129903332 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
