Showing NP-Card for 3-amino-27-demethoxy-27-hydroxyrifamycin S (NP0016137)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-06 01:12:03 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2024-09-12 19:50:37 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0016137 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | 3-amino-27-demethoxy-27-hydroxyrifamycin S | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | 3-Amino-27-demethoxy-27-hydroxyrifamycin S belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. 3-amino-27-demethoxy-27-hydroxyrifamycin S is found in Micromonospora sp. Based on a literature review very few articles have been published on 3-amino-27-demethoxy-27-hydroxyrifamycin S. | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0016137 (3-amino-27-demethoxy-27-hydroxyrifamycin S)
NP0016137
Mrv2104 05272322223D
94 97 0 0 0 0 999 V2000
-4.9775 -3.4647 2.3163 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6851 -2.5323 1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5111 -1.8048 0.6503 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3644 -2.6075 0.8512 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9254 -1.8192 -0.2822 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.7955 -2.6160 -1.0096 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.3950 -3.8719 -1.6721 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6187 -2.9853 -0.0714 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0154 -3.9454 0.9026 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5941 -3.4983 -0.8057 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3499 -4.5340 -0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5106 -4.8660 -1.0686 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6780 -4.7918 -0.2376 C 0 0 1 0 0 0 0 0 0 0 0 0
4.0520 -6.1718 0.2838 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7811 -4.3020 -1.0665 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8036 -2.9401 -0.8661 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4256 -2.0572 -1.7377 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1622 -2.5506 -2.9494 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2429 -0.6913 -1.4840 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7898 0.1797 -2.3907 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4974 -0.2430 -0.3654 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9787 -1.1549 0.5559 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1399 -2.5050 0.2742 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6533 -3.7339 0.8743 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2899 -3.8989 2.0257 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2527 -0.6541 1.7332 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0205 -1.3644 2.7025 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7544 0.7688 1.7347 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9262 1.0668 2.8092 N 0 0 2 0 0 0 0 0 0 0 0 0
3.1493 1.6172 0.7654 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7385 2.9328 0.5788 N 0 0 0 0 0 0 0 0 0 0 0 0
1.6017 3.5526 1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6889 3.0232 1.6626 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5271 4.9956 0.6568 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6664 5.8564 1.1189 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4348 5.4950 0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7135 4.7451 -0.4225 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8686 5.3348 -0.7680 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1358 4.6855 -1.2897 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.3583 5.3047 -0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2023 3.1299 -1.4430 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.4242 2.7836 -2.1292 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0558 2.1841 -0.2064 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.9239 2.6201 0.9785 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3552 0.6829 -0.5549 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.1609 0.4528 -1.9596 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4602 -0.3801 0.1501 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3528 -0.2176 1.6670 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1919 1.1886 -0.2147 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7354 2.0185 -0.9447 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4921 -3.1014 3.2261 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0583 -3.5147 2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6242 -4.4716 2.0738 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7549 -1.7447 -0.9968 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4143 -1.9794 -1.8188 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8140 -4.5651 -0.9373 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6377 -4.4115 -2.2503 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1957 -3.5971 -2.3670 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2874 -2.0913 0.4695 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7917 -3.5727 1.3533 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8983 -2.9349 -1.6862 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1428 -5.1379 0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9771 -6.1404 0.8696 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2169 -6.8623 -0.5506 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2562 -6.5885 0.9109 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0073 -1.8976 -3.1874 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4843 -2.5878 -3.8091 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5801 -3.5496 -2.7841 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6187 1.1038 -2.1004 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5587 0.2265 3.2575 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1998 1.7563 2.5896 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2927 3.4421 -0.1071 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5726 5.6502 0.5406 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4412 6.9217 1.0083 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8826 5.6711 2.1757 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3912 6.5701 -0.1257 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6006 3.6692 -0.4963 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9286 6.4209 -0.6891 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2162 5.0581 -2.3247 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2643 5.3038 0.4995 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4707 6.3556 -0.8889 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2904 4.7982 -0.8639 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3959 2.8574 -2.1387 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5196 3.3864 -2.8892 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0134 2.2348 0.1284 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9593 2.8044 0.6737 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9528 1.8720 1.7748 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5170 3.5245 1.4367 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4076 0.4673 -0.3426 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8572 0.9918 -2.3916 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4507 -0.2212 -0.2549 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3334 -0.2554 2.1492 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8764 0.7312 1.9335 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7336 -1.0093 2.1010 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
2 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
6 8 1 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 1 0 0 0
13 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 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 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
22 26 1 0 0 0 0
26 27 2 0 0 0 0
26 28 1 0 0 0 0
28 29 1 0 0 0 0
28 30 2 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
34 35 1 0 0 0 0
34 36 2 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
39 41 1 0 0 0 0
41 42 1 0 0 0 0
41 43 1 0 0 0 0
43 44 1 0 0 0 0
43 45 1 0 0 0 0
45 46 1 0 0 0 0
45 47 1 0 0 0 0
47 48 1 0 0 0 0
30 49 1 0 0 0 0
49 50 2 0 0 0 0
47 5 1 0 0 0 0
24 13 1 0 0 0 0
23 16 1 0 0 0 0
49 21 1 0 0 0 0
1 51 1 0 0 0 0
1 52 1 0 0 0 0
1 53 1 0 0 0 0
5 54 1 6 0 0 0
6 55 1 6 0 0 0
7 56 1 0 0 0 0
7 57 1 0 0 0 0
7 58 1 0 0 0 0
8 59 1 1 0 0 0
9 60 1 0 0 0 0
10 61 1 0 0 0 0
11 62 1 0 0 0 0
14 63 1 0 0 0 0
14 64 1 0 0 0 0
14 65 1 0 0 0 0
18 66 1 0 0 0 0
18 67 1 0 0 0 0
18 68 1 0 0 0 0
20 69 1 0 0 0 0
29 70 1 0 0 0 0
29 71 1 0 0 0 0
31 72 1 0 0 0 0
35 73 1 0 0 0 0
35 74 1 0 0 0 0
35 75 1 0 0 0 0
36 76 1 0 0 0 0
37 77 1 0 0 0 0
38 78 1 0 0 0 0
39 79 1 6 0 0 0
40 80 1 0 0 0 0
40 81 1 0 0 0 0
40 82 1 0 0 0 0
41 83 1 6 0 0 0
42 84 1 0 0 0 0
43 85 1 1 0 0 0
44 86 1 0 0 0 0
44 87 1 0 0 0 0
44 88 1 0 0 0 0
45 89 1 6 0 0 0
46 90 1 0 0 0 0
47 91 1 6 0 0 0
48 92 1 0 0 0 0
48 93 1 0 0 0 0
48 94 1 0 0 0 0
M END
3D SDF for NP0016137 (3-amino-27-demethoxy-27-hydroxyrifamycin S)
NP0016137
Mrv2104 05272322223D
94 97 0 0 0 0 999 V2000
-4.9775 -3.4647 2.3163 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6851 -2.5323 1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5111 -1.8048 0.6503 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3644 -2.6075 0.8512 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9254 -1.8192 -0.2822 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.7955 -2.6160 -1.0096 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.3950 -3.8719 -1.6721 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6187 -2.9853 -0.0714 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0154 -3.9454 0.9026 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5941 -3.4983 -0.8057 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3499 -4.5340 -0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5106 -4.8660 -1.0686 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6780 -4.7918 -0.2376 C 0 0 1 0 0 0 0 0 0 0 0 0
4.0520 -6.1718 0.2838 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7811 -4.3020 -1.0665 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8036 -2.9401 -0.8661 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4256 -2.0572 -1.7377 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1622 -2.5506 -2.9494 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2429 -0.6913 -1.4840 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7898 0.1797 -2.3907 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4974 -0.2430 -0.3654 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9787 -1.1549 0.5559 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1399 -2.5050 0.2742 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6533 -3.7339 0.8743 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2899 -3.8989 2.0257 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2527 -0.6541 1.7332 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0205 -1.3644 2.7025 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7544 0.7688 1.7347 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9262 1.0668 2.8092 N 0 0 2 0 0 0 0 0 0 0 0 0
3.1493 1.6172 0.7654 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7385 2.9328 0.5788 N 0 0 0 0 0 0 0 0 0 0 0 0
1.6017 3.5526 1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6889 3.0232 1.6626 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5271 4.9956 0.6568 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6664 5.8564 1.1189 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4348 5.4950 0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7135 4.7451 -0.4225 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8686 5.3348 -0.7680 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1358 4.6855 -1.2897 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.3583 5.3047 -0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2023 3.1299 -1.4430 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.4242 2.7836 -2.1292 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0558 2.1841 -0.2064 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.9239 2.6201 0.9785 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3552 0.6829 -0.5549 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.1609 0.4528 -1.9596 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4602 -0.3801 0.1501 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3528 -0.2176 1.6670 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1919 1.1886 -0.2147 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7354 2.0185 -0.9447 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4921 -3.1014 3.2261 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0583 -3.5147 2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6242 -4.4716 2.0738 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7549 -1.7447 -0.9968 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4143 -1.9794 -1.8188 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8140 -4.5651 -0.9373 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6377 -4.4115 -2.2503 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1957 -3.5971 -2.3670 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2874 -2.0913 0.4695 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7917 -3.5727 1.3533 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8983 -2.9349 -1.6862 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1428 -5.1379 0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9771 -6.1404 0.8696 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2169 -6.8623 -0.5506 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2562 -6.5885 0.9109 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0073 -1.8976 -3.1874 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4843 -2.5878 -3.8091 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5801 -3.5496 -2.7841 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6187 1.1038 -2.1004 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5587 0.2265 3.2575 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1998 1.7563 2.5896 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2927 3.4421 -0.1071 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5726 5.6502 0.5406 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4412 6.9217 1.0083 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8826 5.6711 2.1757 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3912 6.5701 -0.1257 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6006 3.6692 -0.4963 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9286 6.4209 -0.6891 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2162 5.0581 -2.3247 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2643 5.3038 0.4995 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4707 6.3556 -0.8889 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2904 4.7982 -0.8639 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3959 2.8574 -2.1387 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5196 3.3864 -2.8892 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0134 2.2348 0.1284 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9593 2.8044 0.6737 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9528 1.8720 1.7748 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5170 3.5245 1.4367 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4076 0.4673 -0.3426 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8572 0.9918 -2.3916 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4507 -0.2212 -0.2549 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3334 -0.2554 2.1492 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8764 0.7312 1.9335 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7336 -1.0093 2.1010 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
2 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
6 8 1 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
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13 14 1 1 0 0 0
13 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 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 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
22 26 1 0 0 0 0
26 27 2 0 0 0 0
26 28 1 0 0 0 0
28 29 1 0 0 0 0
28 30 2 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
34 35 1 0 0 0 0
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36 37 1 0 0 0 0
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38 39 1 0 0 0 0
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31 72 1 0 0 0 0
35 73 1 0 0 0 0
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42 84 1 0 0 0 0
43 85 1 1 0 0 0
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44 88 1 0 0 0 0
45 89 1 6 0 0 0
46 90 1 0 0 0 0
47 91 1 6 0 0 0
48 92 1 0 0 0 0
48 93 1 0 0 0 0
48 94 1 0 0 0 0
M END
> <DATABASE_ID>
NP0016137
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC1=C2C(=O)C3=C(N([H])[H])C(=O)C2=C2C(O[C@](O\C([H])=C([H])\[C@]([H])(O[H])[C@@]([H])(C([H])([H])[H])[C@@]([H])(OC(=O)C([H])([H])[H])[C@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(\C([H])=C(/[H])\C(\[H])=C(/C(=O)N3[H])C([H])([H])[H])C([H])([H])[H])(C2=O)C([H])([H])[H])=C1C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1/C36H44N2O12/c1-14-10-9-11-15(2)35(47)38-26-25(37)30(44)22-23(31(26)45)29(43)19(6)33-24(22)34(46)36(8,50-33)48-13-12-21(40)16(3)32(49-20(7)39)18(5)28(42)17(4)27(14)41/h9-14,16-18,21,27-28,32,40-43H,37H2,1-8H3,(H,38,47)/b10-9+,13-12+,15-11-/t14-,16+,17+,18+,21-,27-,28+,32+,36-/s2
> <INCHI_KEY>
DKGDRGZLHOWDIK-ORRSAJCFNA-N
> <FORMULA>
C36H44N2O12
> <MOLECULAR_WEIGHT>
696.75
> <EXACT_MASS>
696.289424865
> <JCHEM_ACCEPTOR_COUNT>
12
> <JCHEM_ATOM_COUNT>
94
> <JCHEM_AVERAGE_POLARIZABILITY>
72.36422679620955
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
6
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(7S,9E,11S,12R,13R,14R,15R,16R,17S,18S,19E,21Z)-26-amino-2,11,15,17-tetrahydroxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,25-heptaen-13-yl acetate
> <JCHEM_LOGP>
1.5894023303333322
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
4
> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1
> <JCHEM_PKA>
12.572420836401747
> <JCHEM_PKA_STRONGEST_ACIDIC>
6.781170033983532
> <JCHEM_PKA_STRONGEST_BASIC>
-2.985571574191172
> <JCHEM_POLAR_SURFACE_AREA>
232.01
> <JCHEM_REFRACTIVITY>
184.59079999999997
> <JCHEM_ROTATABLE_BOND_COUNT>
2
> <JCHEM_RULE_OF_FIVE>
0
> <JCHEM_TRADITIONAL_IUPAC>
(7S,9E,11S,12R,13R,14R,15R,16R,17S,18S,19E,21Z)-26-amino-2,11,15,17-tetrahydroxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,25-heptaen-13-yl acetate
> <JCHEM_VEBER_RULE>
0
$$$$
PDB for NP0016137 (3-amino-27-demethoxy-27-hydroxyrifamycin S)HEADER PROTEIN 27-MAY-23 NONE TITLE NULL COMPND MOLECULE: NP0016137 SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 27-MAY-23 0 HETATM 1 C UNK 0 -4.978 -3.465 2.316 0.00 0.00 C+0 HETATM 2 C UNK 0 -4.685 -2.532 1.178 0.00 0.00 C+0 HETATM 3 O UNK 0 -5.511 -1.805 0.650 0.00 0.00 O+0 HETATM 4 O UNK 0 -3.364 -2.607 0.851 0.00 0.00 O+0 HETATM 5 C UNK 0 -2.925 -1.819 -0.282 0.00 0.00 C+0 HETATM 6 C UNK 0 -1.796 -2.616 -1.010 0.00 0.00 C+0 HETATM 7 C UNK 0 -2.395 -3.872 -1.672 0.00 0.00 C+0 HETATM 8 C UNK 0 -0.619 -2.985 -0.071 0.00 0.00 C+0 HETATM 9 O UNK 0 -1.015 -3.945 0.903 0.00 0.00 O+0 HETATM 10 C UNK 0 0.594 -3.498 -0.806 0.00 0.00 C+0 HETATM 11 C UNK 0 1.350 -4.534 -0.420 0.00 0.00 C+0 HETATM 12 O UNK 0 2.511 -4.866 -1.069 0.00 0.00 O+0 HETATM 13 C UNK 0 3.678 -4.792 -0.238 0.00 0.00 C+0 HETATM 14 C UNK 0 4.052 -6.172 0.284 0.00 0.00 C+0 HETATM 15 O UNK 0 4.781 -4.302 -1.067 0.00 0.00 O+0 HETATM 16 C UNK 0 4.804 -2.940 -0.866 0.00 0.00 C+0 HETATM 17 C UNK 0 5.426 -2.057 -1.738 0.00 0.00 C+0 HETATM 18 C UNK 0 6.162 -2.551 -2.949 0.00 0.00 C+0 HETATM 19 C UNK 0 5.243 -0.691 -1.484 0.00 0.00 C+0 HETATM 20 O UNK 0 5.790 0.180 -2.391 0.00 0.00 O+0 HETATM 21 C UNK 0 4.497 -0.243 -0.365 0.00 0.00 C+0 HETATM 22 C UNK 0 3.979 -1.155 0.556 0.00 0.00 C+0 HETATM 23 C UNK 0 4.140 -2.505 0.274 0.00 0.00 C+0 HETATM 24 C UNK 0 3.653 -3.734 0.874 0.00 0.00 C+0 HETATM 25 O UNK 0 3.290 -3.899 2.026 0.00 0.00 O+0 HETATM 26 C UNK 0 3.253 -0.654 1.733 0.00 0.00 C+0 HETATM 27 O UNK 0 3.021 -1.364 2.703 0.00 0.00 O+0 HETATM 28 C UNK 0 2.754 0.769 1.735 0.00 0.00 C+0 HETATM 29 N UNK 0 1.926 1.067 2.809 0.00 0.00 N+0 HETATM 30 C UNK 0 3.149 1.617 0.765 0.00 0.00 C+0 HETATM 31 N UNK 0 2.739 2.933 0.579 0.00 0.00 N+0 HETATM 32 C UNK 0 1.602 3.553 1.037 0.00 0.00 C+0 HETATM 33 O UNK 0 0.689 3.023 1.663 0.00 0.00 O+0 HETATM 34 C UNK 0 1.527 4.996 0.657 0.00 0.00 C+0 HETATM 35 C UNK 0 2.666 5.856 1.119 0.00 0.00 C+0 HETATM 36 C UNK 0 0.435 5.495 0.047 0.00 0.00 C+0 HETATM 37 C UNK 0 -0.714 4.745 -0.423 0.00 0.00 C+0 HETATM 38 C UNK 0 -1.869 5.335 -0.768 0.00 0.00 C+0 HETATM 39 C UNK 0 -3.136 4.686 -1.290 0.00 0.00 C+0 HETATM 40 C UNK 0 -4.358 5.305 -0.591 0.00 0.00 C+0 HETATM 41 C UNK 0 -3.202 3.130 -1.443 0.00 0.00 C+0 HETATM 42 O UNK 0 -4.424 2.784 -2.129 0.00 0.00 O+0 HETATM 43 C UNK 0 -3.056 2.184 -0.206 0.00 0.00 C+0 HETATM 44 C UNK 0 -3.924 2.620 0.979 0.00 0.00 C+0 HETATM 45 C UNK 0 -3.355 0.683 -0.555 0.00 0.00 C+0 HETATM 46 O UNK 0 -3.161 0.453 -1.960 0.00 0.00 O+0 HETATM 47 C UNK 0 -2.460 -0.380 0.150 0.00 0.00 C+0 HETATM 48 C UNK 0 -2.353 -0.218 1.667 0.00 0.00 C+0 HETATM 49 C UNK 0 4.192 1.189 -0.215 0.00 0.00 C+0 HETATM 50 O UNK 0 4.735 2.018 -0.945 0.00 0.00 O+0 HETATM 51 H UNK 0 -4.492 -3.101 3.226 0.00 0.00 H+0 HETATM 52 H UNK 0 -6.058 -3.515 2.478 0.00 0.00 H+0 HETATM 53 H UNK 0 -4.624 -4.472 2.074 0.00 0.00 H+0 HETATM 54 H UNK 0 -3.755 -1.745 -0.997 0.00 0.00 H+0 HETATM 55 H UNK 0 -1.414 -1.979 -1.819 0.00 0.00 H+0 HETATM 56 H UNK 0 -2.814 -4.565 -0.937 0.00 0.00 H+0 HETATM 57 H UNK 0 -1.638 -4.412 -2.250 0.00 0.00 H+0 HETATM 58 H UNK 0 -3.196 -3.597 -2.367 0.00 0.00 H+0 HETATM 59 H UNK 0 -0.287 -2.091 0.470 0.00 0.00 H+0 HETATM 60 H UNK 0 -1.792 -3.573 1.353 0.00 0.00 H+0 HETATM 61 H UNK 0 0.898 -2.935 -1.686 0.00 0.00 H+0 HETATM 62 H UNK 0 1.143 -5.138 0.456 0.00 0.00 H+0 HETATM 63 H UNK 0 4.977 -6.140 0.870 0.00 0.00 H+0 HETATM 64 H UNK 0 4.217 -6.862 -0.551 0.00 0.00 H+0 HETATM 65 H UNK 0 3.256 -6.588 0.911 0.00 0.00 H+0 HETATM 66 H UNK 0 7.007 -1.898 -3.187 0.00 0.00 H+0 HETATM 67 H UNK 0 5.484 -2.588 -3.809 0.00 0.00 H+0 HETATM 68 H UNK 0 6.580 -3.550 -2.784 0.00 0.00 H+0 HETATM 69 H UNK 0 5.619 1.104 -2.100 0.00 0.00 H+0 HETATM 70 H UNK 0 1.559 0.227 3.257 0.00 0.00 H+0 HETATM 71 H UNK 0 1.200 1.756 2.590 0.00 0.00 H+0 HETATM 72 H UNK 0 3.293 3.442 -0.107 0.00 0.00 H+0 HETATM 73 H UNK 0 3.573 5.650 0.541 0.00 0.00 H+0 HETATM 74 H UNK 0 2.441 6.922 1.008 0.00 0.00 H+0 HETATM 75 H UNK 0 2.883 5.671 2.176 0.00 0.00 H+0 HETATM 76 H UNK 0 0.391 6.570 -0.126 0.00 0.00 H+0 HETATM 77 H UNK 0 -0.601 3.669 -0.496 0.00 0.00 H+0 HETATM 78 H UNK 0 -1.929 6.421 -0.689 0.00 0.00 H+0 HETATM 79 H UNK 0 -3.216 5.058 -2.325 0.00 0.00 H+0 HETATM 80 H UNK 0 -4.264 5.304 0.500 0.00 0.00 H+0 HETATM 81 H UNK 0 -4.471 6.356 -0.889 0.00 0.00 H+0 HETATM 82 H UNK 0 -5.290 4.798 -0.864 0.00 0.00 H+0 HETATM 83 H UNK 0 -2.396 2.857 -2.139 0.00 0.00 H+0 HETATM 84 H UNK 0 -4.520 3.386 -2.889 0.00 0.00 H+0 HETATM 85 H UNK 0 -2.013 2.235 0.128 0.00 0.00 H+0 HETATM 86 H UNK 0 -4.959 2.804 0.674 0.00 0.00 H+0 HETATM 87 H UNK 0 -3.953 1.872 1.775 0.00 0.00 H+0 HETATM 88 H UNK 0 -3.517 3.525 1.437 0.00 0.00 H+0 HETATM 89 H UNK 0 -4.408 0.467 -0.343 0.00 0.00 H+0 HETATM 90 H UNK 0 -3.857 0.992 -2.392 0.00 0.00 H+0 HETATM 91 H UNK 0 -1.451 -0.221 -0.255 0.00 0.00 H+0 HETATM 92 H UNK 0 -3.333 -0.255 2.149 0.00 0.00 H+0 HETATM 93 H UNK 0 -1.876 0.731 1.934 0.00 0.00 H+0 HETATM 94 H UNK 0 -1.734 -1.009 2.101 0.00 0.00 H+0 CONECT 1 2 51 52 53 CONECT 2 1 3 4 CONECT 3 2 CONECT 4 2 5 CONECT 5 4 6 47 54 CONECT 6 5 7 8 55 CONECT 7 6 56 57 58 CONECT 8 6 9 10 59 CONECT 9 8 60 CONECT 10 8 11 61 CONECT 11 10 12 62 CONECT 12 11 13 CONECT 13 12 14 15 24 CONECT 14 13 63 64 65 CONECT 15 13 16 CONECT 16 15 17 23 CONECT 17 16 18 19 CONECT 18 17 66 67 68 CONECT 19 17 20 21 CONECT 20 19 69 CONECT 21 19 22 49 CONECT 22 21 23 26 CONECT 23 22 24 16 CONECT 24 23 25 13 CONECT 25 24 CONECT 26 22 27 28 CONECT 27 26 CONECT 28 26 29 30 CONECT 29 28 70 71 CONECT 30 28 31 49 CONECT 31 30 32 72 CONECT 32 31 33 34 CONECT 33 32 CONECT 34 32 35 36 CONECT 35 34 73 74 75 CONECT 36 34 37 76 CONECT 37 36 38 77 CONECT 38 37 39 78 CONECT 39 38 40 41 79 CONECT 40 39 80 81 82 CONECT 41 39 42 43 83 CONECT 42 41 84 CONECT 43 41 44 45 85 CONECT 44 43 86 87 88 CONECT 45 43 46 47 89 CONECT 46 45 90 CONECT 47 45 48 5 91 CONECT 48 47 92 93 94 CONECT 49 30 50 21 CONECT 50 49 CONECT 51 1 CONECT 52 1 CONECT 53 1 CONECT 54 5 CONECT 55 6 CONECT 56 7 CONECT 57 7 CONECT 58 7 CONECT 59 8 CONECT 60 9 CONECT 61 10 CONECT 62 11 CONECT 63 14 CONECT 64 14 CONECT 65 14 CONECT 66 18 CONECT 67 18 CONECT 68 18 CONECT 69 20 CONECT 70 29 CONECT 71 29 CONECT 72 31 CONECT 73 35 CONECT 74 35 CONECT 75 35 CONECT 76 36 CONECT 77 37 CONECT 78 38 CONECT 79 39 CONECT 80 40 CONECT 81 40 CONECT 82 40 CONECT 83 41 CONECT 84 42 CONECT 85 43 CONECT 86 44 CONECT 87 44 CONECT 88 44 CONECT 89 45 CONECT 90 46 CONECT 91 47 CONECT 92 48 CONECT 93 48 CONECT 94 48 MASTER 0 0 0 0 0 0 0 0 94 0 194 0 END SMILES for NP0016137 (3-amino-27-demethoxy-27-hydroxyrifamycin S)[H]OC1=C2C(=O)C3=C(N([H])[H])C(=O)C2=C2C(O[C@](O\C([H])=C([H])\[C@]([H])(O[H])[C@@]([H])(C([H])([H])[H])[C@@]([H])(OC(=O)C([H])([H])[H])[C@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(\C([H])=C(/[H])\C(\[H])=C(/C(=O)N3[H])C([H])([H])[H])C([H])([H])[H])(C2=O)C([H])([H])[H])=C1C([H])([H])[H] INCHI for NP0016137 (3-amino-27-demethoxy-27-hydroxyrifamycin S)InChI=1/C36H44N2O12/c1-14-10-9-11-15(2)35(47)38-26-25(37)30(44)22-23(31(26)45)29(43)19(6)33-24(22)34(46)36(8,50-33)48-13-12-21(40)16(3)32(49-20(7)39)18(5)28(42)17(4)27(14)41/h9-14,16-18,21,27-28,32,40-43H,37H2,1-8H3,(H,38,47)/b10-9+,13-12+,15-11-/t14-,16+,17+,18+,21-,27-,28+,32+,36-/s2 3D Structure for NP0016137 (3-amino-27-demethoxy-27-hydroxyrifamycin S) | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C36H44N2O12 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 696.7500 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 696.28942 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (7S,9E,11S,12R,13R,14R,15R,16R,17S,18S,19E,21Z)-26-amino-2,11,15,17-tetrahydroxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,25-heptaen-13-yl acetate | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (7S,9E,11S,12R,13R,14R,15R,16R,17S,18S,19E,21Z)-26-amino-2,11,15,17-tetrahydroxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,25-heptaen-13-yl acetate | |||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | [H]OC1=C2C(=O)C3=C(N([H])[H])C(=O)C2=C2C(O[C@](O\C([H])=C([H])\[C@]([H])(O[H])[C@@]([H])(C([H])([H])[H])[C@@]([H])(OC(=O)C([H])([H])[H])[C@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(\C([H])=C(/[H])\C(\[H])=C(/C(=O)N3[H])C([H])([H])[H])C([H])([H])[H])(C2=O)C([H])([H])[H])=C1C([H])([H])[H] | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1/C36H44N2O12/c1-14-10-9-11-15(2)35(47)38-26-25(37)30(44)22-23(31(26)45)29(43)19(6)33-24(22)34(46)36(8,50-33)48-13-12-21(40)16(3)32(49-20(7)39)18(5)28(42)17(4)27(14)41/h9-14,16-18,21,27-28,32,40-43H,37H2,1-8H3,(H,38,47)/b10-9+,13-12+,15-11-/t14-,16+,17+,18+,21-,27-,28+,32+,36-/s2 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | DKGDRGZLHOWDIK-ORRSAJCFNA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
| |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Kingdom | Organic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Super Class | Lipids and lipid-like molecules | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Class | Prenol lipids | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Sub Class | Sesquiterpenoids | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Direct Parent | Sesquiterpenoids | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Alternative Parents |
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| Substituents |
| |||||||||||||||||||||||||||||||||||||||||||||||||||
| Molecular Framework | Aromatic heteropolycyclic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||
| External Descriptors | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA023818 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | ||||||||||||||||||||||||||||||||||||||||||||||||||||
