Showing NP-Card for Bananamide G (NP0020850)
| Record Information | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 2.0 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-06 06:11:52 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:34:46 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0020850 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Bananamide G | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Bananamide G is found in Pseudomonas sp. COW3. Bananamide G was first documented in 2019 (PMID: 31744250). Based on a literature review very few articles have been published on 3-[(2-{[(4Z)-1,3-dihydroxydodec-4-en-1-ylidene]amino}-1-hydroxy-4-methylpentylidene)amino]-3-{[5,8,11,14,17-pentahydroxy-9-(hydroxymethyl)-19-methyl-6,12,15-tris(2-methylpropyl)-2-oxo-3-(propan-2-yl)-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,13,16-pentaen-18-yl]-C-hydroxycarbonimidoyl}propanoic acid. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0020850 (Bananamide G)
Mrv1652307042107543D
164164 0 0 0 0 999 V2000
14.5863 1.5028 0.9983 C 0 0 0 0 0 0 0 0 0 0 0 0
14.6899 0.3765 -0.0002 C 0 0 1 0 0 0 0 0 0 0 0 0
14.1192 -0.8942 0.5824 C 0 0 1 0 0 0 0 0 0 0 0 0
13.3077 -1.5991 -0.5073 C 0 0 2 0 0 0 0 0 0 0 0 0
12.1772 -0.5973 -0.8670 C 0 0 2 0 0 0 0 0 0 0 0 0
11.4067 -0.3563 0.3570 C 0 0 1 0 0 0 0 0 0 0 0 0
10.2041 0.5504 0.0468 C 0 0 2 0 0 0 0 0 0 0 0 0
9.4562 0.4213 1.3496 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3776 -0.4104 1.3610 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9919 -1.1316 0.1620 C 0 0 2 0 0 0 0 0 0 0 0 0
7.8857 -0.6234 -1.0854 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7789 -1.9484 0.3692 C 0 0 1 0 0 0 0 0 0 0 0 0
5.9203 -0.9199 1.4759 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1397 -1.7026 2.3803 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5590 0.0577 0.7235 N 0 0 1 0 0 0 0 0 0 0 0 0
4.9969 1.2578 0.2051 C 0 0 1 0 0 0 0 0 0 0 0 0
5.1637 2.5441 -0.2773 C 0 0 2 0 0 0 0 0 0 0 0 0
6.4207 2.7060 -1.1728 C 0 0 1 0 0 0 0 0 0 0 0 0
7.5940 2.4662 -0.1992 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3675 1.5720 -2.1552 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7817 0.5759 -0.5475 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6164 0.9274 -1.6724 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0847 -0.3983 0.1792 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9704 -0.9764 -0.6309 C 0 0 1 0 0 0 0 0 0 0 0 0
1.3118 -2.1341 0.1662 C 0 0 2 0 0 0 0 0 0 0 0 0
2.2685 -3.1590 0.4454 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1422 -3.8670 1.4814 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3658 -3.4203 -0.4057 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8866 0.0783 -0.5769 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0402 1.0404 0.1991 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2475 -0.1566 -1.4010 N 0 0 0 0 0 0 0 0 0 0 0 0
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-4.3176 -1.2023 2.4566 O 0 0 0 0 0 0 0 0 0 0 0 0
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-8.1720 -1.8005 0.6976 N 0 0 0 0 0 0 0 0 0 0 0 0
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-10.3420 -1.5182 -0.2165 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.8956 -1.2187 0.9900 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.1052 0.4455 0.2062 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4560 0.4986 1.4480 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.9611 1.6596 -0.5041 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.8779 2.4063 -0.9371 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.7559 3.8491 -0.4965 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.0310 4.4564 -0.9977 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.7939 5.9655 -1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.0567 4.3474 0.1952 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5085 1.8558 -0.7173 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2313 1.1907 -1.7829 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7073 2.0810 0.3705 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.6909 3.0286 0.6978 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.0348 2.9065 2.0403 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.2872 1.6066 2.2477 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9313 3.9791 2.1132 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6627 3.2928 -0.3269 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.6458 2.5211 -0.6499 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1758 1.5778 -1.5290 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.3023 1.0474 -2.4675 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0832 1.2940 1.9302 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8982 2.4448 0.4657 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4683 1.6730 1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0
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10.9571 -1.3113 0.7822 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9172 0.1265 1.1765 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7057 0.4134 -0.8522 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6461 1.6079 0.0668 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7435 0.9779 2.2069 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8370 -0.4833 2.3351 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8757 -1.9670 -0.0201 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1141 -1.1493 -1.5485 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0138 -1.8953 -0.4183 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9073 -2.8239 0.9082 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0067 0.9121 1.7984 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2794 1.5051 1.2034 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3015 3.3600 0.4729 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3314 2.8127 -0.9584 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4738 3.6333 -1.6416 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4322 3.1232 0.7199 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5339 1.4331 0.1031 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5313 2.7799 -0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4208 1.3045 -2.4279 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9016 1.8054 -3.1142 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9203 0.6533 -1.7132 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1850 -0.6842 1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2416 -1.1803 -1.5841 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3376 -2.4354 -0.2811 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9990 -1.6422 1.1551 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1709 -4.2016 -1.0448 H 0 0 0 0 0 0 0 0 0 0 0 0
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-4.8036 -3.4416 -0.3282 H 0 0 0 0 0 0 0 0 0 0 0 0
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-9.6987 6.4466 -1.3218 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3693 6.2619 -0.0978 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6434 3.6600 0.9653 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1185 5.3313 0.7148 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0450 4.0670 -0.1596 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8720 1.3779 1.2046 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3482 3.9879 0.8969 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7076 2.9990 2.8649 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2287 1.1675 1.2617 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1827 1.9213 2.4769 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5298 0.9860 3.0537 H 0 0 0 0 0 0 0 0 0 0 0 0
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31112 1 0 0 0 0
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74164 1 0 0 0 0
M END
3D MOL for NP0020850 (Bananamide G)
RDKit 3D
164164 0 0 0 0 0 0 0 0999 V2000
14.5863 1.5028 0.9983 C 0 0 0 0 0 0 0 0 0 0 0 0
14.6899 0.3765 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1192 -0.8942 0.5824 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3077 -1.5991 -0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1772 -0.5973 -0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4067 -0.3563 0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2041 0.5504 0.0468 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4562 0.4213 1.3496 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3776 -0.4104 1.3610 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9919 -1.1316 0.1620 C 0 0 2 0 0 0 0 0 0 0 0 0
7.8857 -0.6234 -1.0854 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7789 -1.9484 0.3692 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9203 -0.9199 1.4759 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1397 -1.7026 2.3803 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5590 0.0577 0.7235 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9969 1.2578 0.2051 C 0 0 1 0 0 0 0 0 0 0 0 0
5.1637 2.5441 -0.2773 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4207 2.7060 -1.1728 C 0 0 1 0 0 0 0 0 0 0 0 0
7.5940 2.4662 -0.1992 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3675 1.5720 -2.1552 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7817 0.5759 -0.5475 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6164 0.9274 -1.6724 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0847 -0.3983 0.1792 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9704 -0.9764 -0.6309 C 0 0 1 0 0 0 0 0 0 0 0 0
1.3118 -2.1341 0.1662 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2685 -3.1590 0.4454 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1422 -3.8670 1.4814 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3658 -3.4203 -0.4057 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8866 0.0783 -0.5769 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0402 1.0404 0.1991 O 0 0 0 0 0 0 0 0 0 0 0 0
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10 11 1 0
10 12 1 0
12 13 1 0
13 14 2 0
13 15 1 0
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10 92 1 6
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18100 1 6
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31112 1 0
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40122 1 0
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47130 1 0
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69160 1 0
73161 1 6
74162 1 0
74163 1 0
74164 1 0
M END
3D SDF for NP0020850 (Bananamide G)
Mrv1652307042107543D
164164 0 0 0 0 999 V2000
14.5863 1.5028 0.9983 C 0 0 0 0 0 0 0 0 0 0 0 0
14.6899 0.3765 -0.0002 C 0 0 1 0 0 0 0 0 0 0 0 0
14.1192 -0.8942 0.5824 C 0 0 1 0 0 0 0 0 0 0 0 0
13.3077 -1.5991 -0.5073 C 0 0 2 0 0 0 0 0 0 0 0 0
12.1772 -0.5973 -0.8670 C 0 0 2 0 0 0 0 0 0 0 0 0
11.4067 -0.3563 0.3570 C 0 0 1 0 0 0 0 0 0 0 0 0
10.2041 0.5504 0.0468 C 0 0 2 0 0 0 0 0 0 0 0 0
9.4562 0.4213 1.3496 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3776 -0.4104 1.3610 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9919 -1.1316 0.1620 C 0 0 2 0 0 0 0 0 0 0 0 0
7.8857 -0.6234 -1.0854 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7789 -1.9484 0.3692 C 0 0 1 0 0 0 0 0 0 0 0 0
5.9203 -0.9199 1.4759 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1397 -1.7026 2.3803 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5590 0.0577 0.7235 N 0 0 1 0 0 0 0 0 0 0 0 0
4.9969 1.2578 0.2051 C 0 0 1 0 0 0 0 0 0 0 0 0
5.1637 2.5441 -0.2773 C 0 0 2 0 0 0 0 0 0 0 0 0
6.4207 2.7060 -1.1728 C 0 0 1 0 0 0 0 0 0 0 0 0
7.5940 2.4662 -0.1992 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3675 1.5720 -2.1552 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7817 0.5759 -0.5475 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6164 0.9274 -1.6724 O 0 0 0 0 0 0 0 0 0 0 0 0
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1.9704 -0.9764 -0.6309 C 0 0 1 0 0 0 0 0 0 0 0 0
1.3118 -2.1341 0.1662 C 0 0 2 0 0 0 0 0 0 0 0 0
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1.0402 1.0404 0.1991 O 0 0 0 0 0 0 0 0 0 0 0 0
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-3.3023 1.0474 -2.4675 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0832 1.2940 1.9302 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8982 2.4448 0.4657 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4683 1.6730 1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3774 0.6121 -0.9961 H 0 0 0 0 0 0 0 0 0 0 0 0
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10.9571 -1.3113 0.7822 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9172 0.1265 1.1765 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7057 0.4134 -0.8522 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6461 1.6079 0.0668 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7435 0.9779 2.2069 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8370 -0.4833 2.3351 H 0 0 0 0 0 0 0 0 0 0 0 0
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6.9073 -2.8239 0.9082 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0067 0.9121 1.7984 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2794 1.5051 1.2034 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3015 3.3600 0.4729 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3314 2.8127 -0.9584 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4738 3.6333 -1.6416 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4322 3.1232 0.7199 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5339 1.4331 0.1031 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5313 2.7799 -0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4208 1.3045 -2.4279 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9016 1.8054 -3.1142 H 0 0 0 0 0 0 0 0 0 0 0 0
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3.1850 -0.6842 1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2416 -1.1803 -1.5841 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3376 -2.4354 -0.2811 H 0 0 0 0 0 0 0 0 0 0 0 0
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3.1709 -4.2016 -1.0448 H 0 0 0 0 0 0 0 0 0 0 0 0
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-4.8036 -3.4416 -0.3282 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4455 -4.8954 -1.4025 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9760 -4.7975 -0.4778 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5241 -4.6959 -2.3310 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9195 -2.9338 -2.0435 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3212 -4.0465 -0.7173 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6829 -2.2487 1.4951 H 0 0 0 0 0 0 0 0 0 0 0 0
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-10.1553 -2.6271 -0.3234 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8316 -1.1311 -1.0738 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.6508 -1.6869 1.7792 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9123 2.1324 -0.8096 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9541 2.5214 -2.0815 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7915 3.8661 0.6321 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8828 4.2928 -0.9129 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4064 4.0678 -1.8972 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9843 6.0793 -1.8633 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6987 6.4466 -1.3218 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3693 6.2619 -0.0978 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6434 3.6600 0.9653 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1185 5.3313 0.7148 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0450 4.0670 -0.1596 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8720 1.3779 1.2046 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3482 3.9879 0.8969 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7076 2.9990 2.8649 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2287 1.1675 1.2617 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1827 1.9213 2.4769 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5298 0.9860 3.0537 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2404 4.8375 2.6538 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0898 3.4763 2.7090 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5391 4.1792 1.1159 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5300 2.1233 -2.3142 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8678 0.3401 -1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8628 0.4804 -3.2755 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9413 1.8796 -2.6756 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 2 0 0 0 0
9 10 1 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 2 0 0 0 0
13 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
18 20 1 0 0 0 0
16 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
26 28 1 0 0 0 0
24 29 1 0 0 0 0
29 30 2 0 0 0 0
29 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
38 40 1 0 0 0 0
36 41 1 0 0 0 0
41 42 2 0 0 0 0
41 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
46 48 1 0 0 0 0
44 49 1 0 0 0 0
49 50 2 0 0 0 0
49 51 1 0 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 1 0 0 0 0
52 55 1 0 0 0 0
55 56 2 0 0 0 0
55 57 1 0 0 0 0
57 58 1 0 0 0 0
58 59 1 0 0 0 0
59 60 1 0 0 0 0
60 61 1 0 0 0 0
60 62 1 0 0 0 0
58 63 1 0 0 0 0
63 64 2 0 0 0 0
63 65 1 0 0 0 0
65 66 1 0 0 0 0
66 67 1 0 0 0 0
67 68 1 0 0 0 0
67 69 1 0 0 0 0
66 70 1 0 0 0 0
70 71 2 0 0 0 0
70 72 1 0 0 0 0
72 73 1 0 0 0 0
73 74 1 0 0 0 0
73 32 1 0 0 0 0
1 75 1 0 0 0 0
1 76 1 0 0 0 0
1 77 1 0 0 0 0
2 78 1 0 0 0 0
2 79 1 0 0 0 0
3 80 1 0 0 0 0
3 81 1 0 0 0 0
4 82 1 0 0 0 0
4 83 1 0 0 0 0
5 84 1 0 0 0 0
5 85 1 0 0 0 0
6 86 1 0 0 0 0
6 87 1 0 0 0 0
7 88 1 0 0 0 0
7 89 1 0 0 0 0
8 90 1 0 0 0 0
9 91 1 0 0 0 0
10 92 1 6 0 0 0
11 93 1 0 0 0 0
12 94 1 0 0 0 0
12 95 1 0 0 0 0
15 96 1 0 0 0 0
16 97 1 1 0 0 0
17 98 1 0 0 0 0
17 99 1 0 0 0 0
18100 1 6 0 0 0
19101 1 0 0 0 0
19102 1 0 0 0 0
19103 1 0 0 0 0
20104 1 0 0 0 0
20105 1 0 0 0 0
20106 1 0 0 0 0
23107 1 0 0 0 0
24108 1 6 0 0 0
25109 1 0 0 0 0
25110 1 0 0 0 0
28111 1 0 0 0 0
31112 1 0 0 0 0
32113 1 6 0 0 0
35114 1 0 0 0 0
36115 1 6 0 0 0
37116 1 0 0 0 0
37117 1 0 0 0 0
38118 1 1 0 0 0
39119 1 0 0 0 0
39120 1 0 0 0 0
39121 1 0 0 0 0
40122 1 0 0 0 0
40123 1 0 0 0 0
40124 1 0 0 0 0
43125 1 0 0 0 0
44126 1 6 0 0 0
45127 1 0 0 0 0
45128 1 0 0 0 0
46129 1 6 0 0 0
47130 1 0 0 0 0
47131 1 0 0 0 0
47132 1 0 0 0 0
48133 1 0 0 0 0
48134 1 0 0 0 0
48135 1 0 0 0 0
51136 1 0 0 0 0
52137 1 6 0 0 0
53138 1 0 0 0 0
53139 1 0 0 0 0
54140 1 0 0 0 0
57141 1 0 0 0 0
58142 1 6 0 0 0
59143 1 0 0 0 0
59144 1 0 0 0 0
60145 1 6 0 0 0
61146 1 0 0 0 0
61147 1 0 0 0 0
61148 1 0 0 0 0
62149 1 0 0 0 0
62150 1 0 0 0 0
62151 1 0 0 0 0
65152 1 0 0 0 0
66153 1 1 0 0 0
67154 1 1 0 0 0
68155 1 0 0 0 0
68156 1 0 0 0 0
68157 1 0 0 0 0
69158 1 0 0 0 0
69159 1 0 0 0 0
69160 1 0 0 0 0
73161 1 6 0 0 0
74162 1 0 0 0 0
74163 1 0 0 0 0
74164 1 0 0 0 0
M END
> <DATABASE_ID>
NP0020850
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC(=O)C([H])([H])[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])[C@@]([H])(O[H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(=O)N([H])[C@@]1([H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)O[C@]1([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])O[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C52H90N8O14/c1-13-14-15-16-17-18-19-20-34(62)25-41(63)53-35(21-28(2)3)45(66)56-39(26-42(64)65)49(70)60-44-33(12)74-52(73)43(32(10)11)59-48(69)38(24-31(8)9)55-50(71)40(27-61)58-47(68)36(22-29(4)5)54-46(67)37(23-30(6)7)57-51(44)72/h19-20,28-40,43-44,61-62H,13-18,21-27H2,1-12H3,(H,53,63)(H,54,67)(H,55,71)(H,56,66)(H,57,72)(H,58,68)(H,59,69)(H,60,70)(H,64,65)/b20-19-/t33-,34+,35+,36+,37+,38+,39+,40+,43+,44-/m1/s1
> <INCHI_KEY>
OQVKCEVXGNJSOO-VXPUYCOJSA-N
> <FORMULA>
C52H90N8O14
> <MOLECULAR_WEIGHT>
1051.334
> <EXACT_MASS>
1050.65764961
> <JCHEM_ACCEPTOR_COUNT>
13
> <JCHEM_ATOM_COUNT>
164
> <JCHEM_AVERAGE_POLARIZABILITY>
114.94626019532927
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
11
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(3S)-3-{2-[(3R,4Z)-3-hydroxydodec-4-enamido]-4-methylpentanamido}-3-{[(3S,6S,9S,15S,18R,19R)-9-(hydroxymethyl)-19-methyl-6,12,15-tris(2-methylpropyl)-2,5,8,11,14,17-hexaoxo-3-(propan-2-yl)-1-oxa-4,7,10,13,16-pentaazacyclononadecan-18-yl]carbamoyl}propanoic acid
> <ALOGPS_LOGP>
2.49
> <JCHEM_LOGP>
2.9986810279999987
> <ALOGPS_LOGS>
-4.86
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
1
> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1
> <JCHEM_PKA>
11.310169838093332
> <JCHEM_PKA_STRONGEST_ACIDIC>
4.007654411013071
> <JCHEM_POLAR_SURFACE_AREA>
336.85999999999996
> <JCHEM_REFRACTIVITY>
273.27630000000016
> <JCHEM_ROTATABLE_BOND_COUNT>
26
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
1.45e-02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(3S)-3-{2-[(3R,4Z)-3-hydroxydodec-4-enamido]-4-methylpentanamido}-3-{[(3S,6S,9S,15S,18R,19R)-9-(hydroxymethyl)-3-isopropyl-19-methyl-6,12,15-tris(2-methylpropyl)-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentaazacyclononadecan-18-yl]carbamoyl}propanoic acid
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0020850 (Bananamide G)
RDKit 3D
164164 0 0 0 0 0 0 0 0999 V2000
14.5863 1.5028 0.9983 C 0 0 0 0 0 0 0 0 0 0 0 0
14.6899 0.3765 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1192 -0.8942 0.5824 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3077 -1.5991 -0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1772 -0.5973 -0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4067 -0.3563 0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2041 0.5504 0.0468 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4562 0.4213 1.3496 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3776 -0.4104 1.3610 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9919 -1.1316 0.1620 C 0 0 2 0 0 0 0 0 0 0 0 0
7.8857 -0.6234 -1.0854 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7789 -1.9484 0.3692 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9203 -0.9199 1.4759 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1397 -1.7026 2.3803 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5590 0.0577 0.7235 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9969 1.2578 0.2051 C 0 0 1 0 0 0 0 0 0 0 0 0
5.1637 2.5441 -0.2773 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4207 2.7060 -1.1728 C 0 0 1 0 0 0 0 0 0 0 0 0
7.5940 2.4662 -0.1992 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3675 1.5720 -2.1552 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7817 0.5759 -0.5475 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6164 0.9274 -1.6724 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0847 -0.3983 0.1792 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9704 -0.9764 -0.6309 C 0 0 1 0 0 0 0 0 0 0 0 0
1.3118 -2.1341 0.1662 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2685 -3.1590 0.4454 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1422 -3.8670 1.4814 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3658 -3.4203 -0.4057 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8866 0.0783 -0.5769 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0402 1.0404 0.1991 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2475 -0.1566 -1.4010 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4953 0.4299 -1.0208 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.2272 0.2899 0.5056 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5901 1.3058 0.9411 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6281 -0.7477 1.3331 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.5827 -1.8216 1.0430 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.2752 -2.9171 1.9861 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8308 -4.2889 1.8190 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.1824 -4.6550 2.0614 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4799 -4.4709 0.2639 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9461 -1.2474 1.2415 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3176 -1.2023 2.4566 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7864 -0.7277 0.1987 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.8602 -1.6106 -0.4405 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.3466 -2.0480 -1.7210 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8311 -3.3980 -2.1503 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.1524 -4.2918 -0.9753 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2601 -3.7218 -1.8695 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7450 -1.9753 0.5937 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2768 -2.5392 1.6275 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.1720 -1.8005 0.6976 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.8672 -0.9548 -0.2697 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.3420 -1.5182 -0.2165 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.8956 -1.2187 0.9900 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.1052 0.4455 0.2062 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4560 0.4986 1.4480 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.9611 1.6596 -0.5041 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.8779 2.4063 -0.9371 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.7559 3.8491 -0.4965 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0310 4.4564 -0.9977 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.7939 5.9655 -1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.0567 4.3474 0.1952 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5085 1.8558 -0.7173 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2313 1.1907 -1.7829 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7073 2.0810 0.3705 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.6909 3.0286 0.6978 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.0348 2.9065 2.0403 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.2872 1.6066 2.2477 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9313 3.9791 2.1132 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6627 3.2928 -0.3269 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9204 4.4309 -0.9706 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6458 2.5211 -0.6499 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1758 1.5778 -1.5290 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.3023 1.0474 -2.4675 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0832 1.2940 1.9302 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8982 2.4448 0.4657 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4683 1.6730 1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3774 0.6121 -0.9961 H 0 0 0 0 0 0 0 0 0 0 0 0
15.8381 0.2413 -0.0991 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9897 -1.6062 0.7406 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6231 -0.8184 1.5221 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7693 -2.4263 -0.0161 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8604 -1.8327 -1.3701 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5043 -1.1755 -1.5641 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4934 0.2797 -1.3827 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9571 -1.3113 0.7822 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9172 0.1265 1.1765 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7057 0.4134 -0.8522 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6461 1.6079 0.0668 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7435 0.9779 2.2069 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8370 -0.4833 2.3351 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8757 -1.9670 -0.0201 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1141 -1.1493 -1.5485 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0138 -1.8953 -0.4183 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9073 -2.8239 0.9082 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0067 0.9121 1.7984 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2794 1.5051 1.2034 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3015 3.3600 0.4729 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3314 2.8127 -0.9584 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4738 3.6333 -1.6416 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4322 3.1232 0.7199 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5339 1.4331 0.1031 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5313 2.7799 -0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4208 1.3045 -2.4279 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9016 1.8054 -3.1142 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9203 0.6533 -1.7132 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1850 -0.6842 1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2416 -1.1803 -1.5841 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3376 -2.4354 -0.2811 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9990 -1.6422 1.1551 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1709 -4.2016 -1.0448 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0803 -0.6127 -2.3234 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1962 -0.5552 -1.1446 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1450 -0.8079 2.2981 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3262 -2.0989 0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4696 -2.8366 2.6908 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1576 -2.5790 2.8676 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1295 -5.0846 2.2277 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0358 -4.8112 1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2276 -5.7219 2.6131 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6150 -4.0597 2.9806 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0375 -3.6129 -0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4174 -4.2176 0.0522 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7832 -5.3976 -0.0044 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6607 0.1767 -0.1236 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6097 -0.7352 -0.8952 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6771 -1.4018 -2.6408 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2494 -1.9913 -1.8579 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3787 -3.7558 -2.9891 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8036 -3.4416 -0.3282 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4455 -4.8954 -1.4025 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9760 -4.7975 -0.4778 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5241 -4.6959 -2.3310 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9195 -2.9338 -2.0435 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3212 -4.0465 -0.7173 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6829 -2.2487 1.4951 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5740 -1.0331 -1.2874 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1553 -2.6271 -0.3234 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8316 -1.1311 -1.0738 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.6508 -1.6869 1.7792 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9123 2.1324 -0.8096 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9541 2.5214 -2.0815 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7915 3.8661 0.6321 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8828 4.2928 -0.9129 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4064 4.0678 -1.8972 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9843 6.0793 -1.8633 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6987 6.4466 -1.3218 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3693 6.2619 -0.0978 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6434 3.6600 0.9653 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1185 5.3313 0.7148 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0450 4.0670 -0.1596 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8720 1.3779 1.2046 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3482 3.9879 0.8969 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7076 2.9990 2.8649 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2287 1.1675 1.2617 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1827 1.9213 2.4769 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5298 0.9860 3.0537 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2404 4.8375 2.6538 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0898 3.4763 2.7090 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5391 4.1792 1.1159 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5300 2.1233 -2.3142 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8678 0.3401 -1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8628 0.4804 -3.2755 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9413 1.8796 -2.6756 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 2 0
9 10 1 0
10 11 1 0
10 12 1 0
12 13 1 0
13 14 2 0
13 15 1 0
15 16 1 0
16 17 1 0
17 18 1 0
18 19 1 0
18 20 1 0
16 21 1 0
21 22 2 0
21 23 1 0
23 24 1 0
24 25 1 0
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26 27 2 0
26 28 1 0
24 29 1 0
29 30 2 0
29 31 1 0
31 32 1 0
32 33 1 0
33 34 2 0
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41 42 2 0
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49 50 2 0
49 51 1 0
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63 64 2 0
63 65 1 0
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66 70 1 0
70 71 2 0
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73 74 1 0
73 32 1 0
1 75 1 0
1 76 1 0
1 77 1 0
2 78 1 0
2 79 1 0
3 80 1 0
3 81 1 0
4 82 1 0
4 83 1 0
5 84 1 0
5 85 1 0
6 86 1 0
6 87 1 0
7 88 1 0
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8 90 1 0
9 91 1 0
10 92 1 6
11 93 1 0
12 94 1 0
12 95 1 0
15 96 1 0
16 97 1 1
17 98 1 0
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18100 1 6
19101 1 0
19102 1 0
19103 1 0
20104 1 0
20105 1 0
20106 1 0
23107 1 0
24108 1 6
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25110 1 0
28111 1 0
31112 1 0
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35114 1 0
36115 1 6
37116 1 0
37117 1 0
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39120 1 0
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40124 1 0
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69159 1 0
69160 1 0
73161 1 6
74162 1 0
74163 1 0
74164 1 0
M END
PDB for NP0020850 (Bananamide G)HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 C UNK 0 14.586 1.503 0.998 0.00 0.00 C+0 HETATM 2 C UNK 0 14.690 0.377 -0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 14.119 -0.894 0.582 0.00 0.00 C+0 HETATM 4 C UNK 0 13.308 -1.599 -0.507 0.00 0.00 C+0 HETATM 5 C UNK 0 12.177 -0.597 -0.867 0.00 0.00 C+0 HETATM 6 C UNK 0 11.407 -0.356 0.357 0.00 0.00 C+0 HETATM 7 C UNK 0 10.204 0.550 0.047 0.00 0.00 C+0 HETATM 8 C UNK 0 9.456 0.421 1.350 0.00 0.00 C+0 HETATM 9 C UNK 0 8.378 -0.410 1.361 0.00 0.00 C+0 HETATM 10 C UNK 0 7.992 -1.132 0.162 0.00 0.00 C+0 HETATM 11 O UNK 0 7.886 -0.623 -1.085 0.00 0.00 O+0 HETATM 12 C UNK 0 6.779 -1.948 0.369 0.00 0.00 C+0 HETATM 13 C UNK 0 5.920 -0.920 1.476 0.00 0.00 C+0 HETATM 14 O UNK 0 6.140 -1.703 2.380 0.00 0.00 O+0 HETATM 15 N UNK 0 5.559 0.058 0.724 0.00 0.00 N+0 HETATM 16 C UNK 0 4.997 1.258 0.205 0.00 0.00 C+0 HETATM 17 C UNK 0 5.164 2.544 -0.277 0.00 0.00 C+0 HETATM 18 C UNK 0 6.421 2.706 -1.173 0.00 0.00 C+0 HETATM 19 C UNK 0 7.594 2.466 -0.199 0.00 0.00 C+0 HETATM 20 C UNK 0 6.367 1.572 -2.155 0.00 0.00 C+0 HETATM 21 C UNK 0 3.782 0.576 -0.548 0.00 0.00 C+0 HETATM 22 O UNK 0 3.616 0.927 -1.672 0.00 0.00 O+0 HETATM 23 N UNK 0 3.085 -0.398 0.179 0.00 0.00 N+0 HETATM 24 C UNK 0 1.970 -0.976 -0.631 0.00 0.00 C+0 HETATM 25 C UNK 0 1.312 -2.134 0.166 0.00 0.00 C+0 HETATM 26 C UNK 0 2.268 -3.159 0.445 0.00 0.00 C+0 HETATM 27 O UNK 0 2.142 -3.867 1.481 0.00 0.00 O+0 HETATM 28 O UNK 0 3.366 -3.420 -0.406 0.00 0.00 O+0 HETATM 29 C UNK 0 0.887 0.078 -0.577 0.00 0.00 C+0 HETATM 30 O UNK 0 1.040 1.040 0.199 0.00 0.00 O+0 HETATM 31 N UNK 0 -0.248 -0.157 -1.401 0.00 0.00 N+0 HETATM 32 C UNK 0 -1.495 0.430 -1.021 0.00 0.00 C+0 HETATM 33 C UNK 0 -1.227 0.290 0.506 0.00 0.00 C+0 HETATM 34 O UNK 0 -0.590 1.306 0.941 0.00 0.00 O+0 HETATM 35 N UNK 0 -1.628 -0.748 1.333 0.00 0.00 N+0 HETATM 36 C UNK 0 -2.583 -1.822 1.043 0.00 0.00 C+0 HETATM 37 C UNK 0 -2.275 -2.917 1.986 0.00 0.00 C+0 HETATM 38 C UNK 0 -2.831 -4.289 1.819 0.00 0.00 C+0 HETATM 39 C UNK 0 -4.182 -4.655 2.061 0.00 0.00 C+0 HETATM 40 C UNK 0 -2.480 -4.471 0.264 0.00 0.00 C+0 HETATM 41 C UNK 0 -3.946 -1.247 1.242 0.00 0.00 C+0 HETATM 42 O UNK 0 -4.318 -1.202 2.457 0.00 0.00 O+0 HETATM 43 N UNK 0 -4.786 -0.728 0.199 0.00 0.00 N+0 HETATM 44 C UNK 0 -5.860 -1.611 -0.441 0.00 0.00 C+0 HETATM 45 C UNK 0 -5.347 -2.048 -1.721 0.00 0.00 C+0 HETATM 46 C UNK 0 -5.831 -3.398 -2.150 0.00 0.00 C+0 HETATM 47 C UNK 0 -5.152 -4.292 -0.975 0.00 0.00 C+0 HETATM 48 C UNK 0 -7.260 -3.722 -1.869 0.00 0.00 C+0 HETATM 49 C UNK 0 -6.745 -1.975 0.594 0.00 0.00 C+0 HETATM 50 O UNK 0 -6.277 -2.539 1.628 0.00 0.00 O+0 HETATM 51 N UNK 0 -8.172 -1.801 0.698 0.00 0.00 N+0 HETATM 52 C UNK 0 -8.867 -0.955 -0.270 0.00 0.00 C+0 HETATM 53 C UNK 0 -10.342 -1.518 -0.217 0.00 0.00 C+0 HETATM 54 O UNK 0 -10.896 -1.219 0.990 0.00 0.00 O+0 HETATM 55 C UNK 0 -9.105 0.446 0.206 0.00 0.00 C+0 HETATM 56 O UNK 0 -9.456 0.499 1.448 0.00 0.00 O+0 HETATM 57 N UNK 0 -8.961 1.660 -0.504 0.00 0.00 N+0 HETATM 58 C UNK 0 -7.878 2.406 -0.937 0.00 0.00 C+0 HETATM 59 C UNK 0 -7.756 3.849 -0.497 0.00 0.00 C+0 HETATM 60 C UNK 0 -9.031 4.456 -0.998 0.00 0.00 C+0 HETATM 61 C UNK 0 -8.794 5.965 -1.045 0.00 0.00 C+0 HETATM 62 C UNK 0 -10.057 4.347 0.195 0.00 0.00 C+0 HETATM 63 C UNK 0 -6.508 1.856 -0.717 0.00 0.00 C+0 HETATM 64 O UNK 0 -6.231 1.191 -1.783 0.00 0.00 O+0 HETATM 65 N UNK 0 -5.707 2.081 0.371 0.00 0.00 N+0 HETATM 66 C UNK 0 -4.691 3.029 0.698 0.00 0.00 C+0 HETATM 67 C UNK 0 -4.035 2.906 2.040 0.00 0.00 C+0 HETATM 68 C UNK 0 -3.287 1.607 2.248 0.00 0.00 C+0 HETATM 69 C UNK 0 -2.931 3.979 2.113 0.00 0.00 C+0 HETATM 70 C UNK 0 -3.663 3.293 -0.327 0.00 0.00 C+0 HETATM 71 O UNK 0 -3.920 4.431 -0.971 0.00 0.00 O+0 HETATM 72 O UNK 0 -2.646 2.521 -0.650 0.00 0.00 O+0 HETATM 73 C UNK 0 -2.176 1.578 -1.529 0.00 0.00 C+0 HETATM 74 C UNK 0 -3.302 1.047 -2.467 0.00 0.00 C+0 HETATM 75 H UNK 0 15.083 1.294 1.930 0.00 0.00 H+0 HETATM 76 H UNK 0 14.898 2.445 0.466 0.00 0.00 H+0 HETATM 77 H UNK 0 13.468 1.673 1.155 0.00 0.00 H+0 HETATM 78 H UNK 0 14.377 0.612 -0.996 0.00 0.00 H+0 HETATM 79 H UNK 0 15.838 0.241 -0.099 0.00 0.00 H+0 HETATM 80 H UNK 0 14.990 -1.606 0.741 0.00 0.00 H+0 HETATM 81 H UNK 0 13.623 -0.818 1.522 0.00 0.00 H+0 HETATM 82 H UNK 0 12.769 -2.426 -0.016 0.00 0.00 H+0 HETATM 83 H UNK 0 13.860 -1.833 -1.370 0.00 0.00 H+0 HETATM 84 H UNK 0 11.504 -1.176 -1.564 0.00 0.00 H+0 HETATM 85 H UNK 0 12.493 0.280 -1.383 0.00 0.00 H+0 HETATM 86 H UNK 0 10.957 -1.311 0.782 0.00 0.00 H+0 HETATM 87 H UNK 0 11.917 0.127 1.177 0.00 0.00 H+0 HETATM 88 H UNK 0 9.706 0.413 -0.852 0.00 0.00 H+0 HETATM 89 H UNK 0 10.646 1.608 0.067 0.00 0.00 H+0 HETATM 90 H UNK 0 9.743 0.978 2.207 0.00 0.00 H+0 HETATM 91 H UNK 0 7.837 -0.483 2.335 0.00 0.00 H+0 HETATM 92 H UNK 0 8.876 -1.967 -0.020 0.00 0.00 H+0 HETATM 93 H UNK 0 7.114 -1.149 -1.549 0.00 0.00 H+0 HETATM 94 H UNK 0 6.014 -1.895 -0.418 0.00 0.00 H+0 HETATM 95 H UNK 0 6.907 -2.824 0.908 0.00 0.00 H+0 HETATM 96 H UNK 0 6.007 0.912 1.798 0.00 0.00 H+0 HETATM 97 H UNK 0 4.279 1.505 1.203 0.00 0.00 H+0 HETATM 98 H UNK 0 5.301 3.360 0.473 0.00 0.00 H+0 HETATM 99 H UNK 0 4.331 2.813 -0.958 0.00 0.00 H+0 HETATM 100 H UNK 0 6.474 3.633 -1.642 0.00 0.00 H+0 HETATM 101 H UNK 0 7.432 3.123 0.720 0.00 0.00 H+0 HETATM 102 H UNK 0 7.534 1.433 0.103 0.00 0.00 H+0 HETATM 103 H UNK 0 8.531 2.780 -0.662 0.00 0.00 H+0 HETATM 104 H UNK 0 7.421 1.305 -2.428 0.00 0.00 H+0 HETATM 105 H UNK 0 5.902 1.805 -3.114 0.00 0.00 H+0 HETATM 106 H UNK 0 5.920 0.653 -1.713 0.00 0.00 H+0 HETATM 107 H UNK 0 3.185 -0.684 1.161 0.00 0.00 H+0 HETATM 108 H UNK 0 2.242 -1.180 -1.584 0.00 0.00 H+0 HETATM 109 H UNK 0 0.338 -2.435 -0.281 0.00 0.00 H+0 HETATM 110 H UNK 0 0.999 -1.642 1.155 0.00 0.00 H+0 HETATM 111 H UNK 0 3.171 -4.202 -1.045 0.00 0.00 H+0 HETATM 112 H UNK 0 -0.080 -0.613 -2.323 0.00 0.00 H+0 HETATM 113 H UNK 0 -2.196 -0.555 -1.145 0.00 0.00 H+0 HETATM 114 H UNK 0 -1.145 -0.808 2.298 0.00 0.00 H+0 HETATM 115 H UNK 0 -2.326 -2.099 0.013 0.00 0.00 H+0 HETATM 116 H UNK 0 -1.470 -2.837 2.691 0.00 0.00 H+0 HETATM 117 H UNK 0 -3.158 -2.579 2.868 0.00 0.00 H+0 HETATM 118 H UNK 0 -2.130 -5.085 2.228 0.00 0.00 H+0 HETATM 119 H UNK 0 -5.036 -4.811 1.440 0.00 0.00 H+0 HETATM 120 H UNK 0 -4.228 -5.722 2.613 0.00 0.00 H+0 HETATM 121 H UNK 0 -4.615 -4.060 2.981 0.00 0.00 H+0 HETATM 122 H UNK 0 -3.038 -3.613 -0.224 0.00 0.00 H+0 HETATM 123 H UNK 0 -1.417 -4.218 0.052 0.00 0.00 H+0 HETATM 124 H UNK 0 -2.783 -5.398 -0.004 0.00 0.00 H+0 HETATM 125 H UNK 0 -4.661 0.177 -0.124 0.00 0.00 H+0 HETATM 126 H UNK 0 -6.610 -0.735 -0.895 0.00 0.00 H+0 HETATM 127 H UNK 0 -5.677 -1.402 -2.641 0.00 0.00 H+0 HETATM 128 H UNK 0 -4.249 -1.991 -1.858 0.00 0.00 H+0 HETATM 129 H UNK 0 -5.379 -3.756 -2.989 0.00 0.00 H+0 HETATM 130 H UNK 0 -4.804 -3.442 -0.328 0.00 0.00 H+0 HETATM 131 H UNK 0 -4.446 -4.895 -1.403 0.00 0.00 H+0 HETATM 132 H UNK 0 -5.976 -4.798 -0.478 0.00 0.00 H+0 HETATM 133 H UNK 0 -7.524 -4.696 -2.331 0.00 0.00 H+0 HETATM 134 H UNK 0 -7.920 -2.934 -2.043 0.00 0.00 H+0 HETATM 135 H UNK 0 -7.321 -4.046 -0.717 0.00 0.00 H+0 HETATM 136 H UNK 0 -8.683 -2.249 1.495 0.00 0.00 H+0 HETATM 137 H UNK 0 -8.574 -1.033 -1.287 0.00 0.00 H+0 HETATM 138 H UNK 0 -10.155 -2.627 -0.323 0.00 0.00 H+0 HETATM 139 H UNK 0 -10.832 -1.131 -1.074 0.00 0.00 H+0 HETATM 140 H UNK 0 -10.651 -1.687 1.779 0.00 0.00 H+0 HETATM 141 H UNK 0 -9.912 2.132 -0.810 0.00 0.00 H+0 HETATM 142 H UNK 0 -7.954 2.521 -2.082 0.00 0.00 H+0 HETATM 143 H UNK 0 -7.792 3.866 0.632 0.00 0.00 H+0 HETATM 144 H UNK 0 -6.883 4.293 -0.913 0.00 0.00 H+0 HETATM 145 H UNK 0 -9.406 4.068 -1.897 0.00 0.00 H+0 HETATM 146 H UNK 0 -7.984 6.079 -1.863 0.00 0.00 H+0 HETATM 147 H UNK 0 -9.699 6.447 -1.322 0.00 0.00 H+0 HETATM 148 H UNK 0 -8.369 6.262 -0.098 0.00 0.00 H+0 HETATM 149 H UNK 0 -9.643 3.660 0.965 0.00 0.00 H+0 HETATM 150 H UNK 0 -10.118 5.331 0.715 0.00 0.00 H+0 HETATM 151 H UNK 0 -11.045 4.067 -0.160 0.00 0.00 H+0 HETATM 152 H UNK 0 -5.872 1.378 1.205 0.00 0.00 H+0 HETATM 153 H UNK 0 -5.348 3.988 0.897 0.00 0.00 H+0 HETATM 154 H UNK 0 -4.708 2.999 2.865 0.00 0.00 H+0 HETATM 155 H UNK 0 -3.229 1.167 1.262 0.00 0.00 H+0 HETATM 156 H UNK 0 -2.183 1.921 2.477 0.00 0.00 H+0 HETATM 157 H UNK 0 -3.530 0.986 3.054 0.00 0.00 H+0 HETATM 158 H UNK 0 -3.240 4.838 2.654 0.00 0.00 H+0 HETATM 159 H UNK 0 -2.090 3.476 2.709 0.00 0.00 H+0 HETATM 160 H UNK 0 -2.539 4.179 1.116 0.00 0.00 H+0 HETATM 161 H UNK 0 -1.530 2.123 -2.314 0.00 0.00 H+0 HETATM 162 H UNK 0 -3.868 0.340 -1.838 0.00 0.00 H+0 HETATM 163 H UNK 0 -2.863 0.480 -3.276 0.00 0.00 H+0 HETATM 164 H UNK 0 -3.941 1.880 -2.676 0.00 0.00 H+0 CONECT 1 2 75 76 77 CONECT 2 1 3 78 79 CONECT 3 2 4 80 81 CONECT 4 3 5 82 83 CONECT 5 4 6 84 85 CONECT 6 5 7 86 87 CONECT 7 6 8 88 89 CONECT 8 7 9 90 CONECT 9 8 10 91 CONECT 10 9 11 12 92 CONECT 11 10 93 CONECT 12 10 13 94 95 CONECT 13 12 14 15 CONECT 14 13 CONECT 15 13 16 96 CONECT 16 15 17 21 97 CONECT 17 16 18 98 99 CONECT 18 17 19 20 100 CONECT 19 18 101 102 103 CONECT 20 18 104 105 106 CONECT 21 16 22 23 CONECT 22 21 CONECT 23 21 24 107 CONECT 24 23 25 29 108 CONECT 25 24 26 109 110 CONECT 26 25 27 28 CONECT 27 26 CONECT 28 26 111 CONECT 29 24 30 31 CONECT 30 29 CONECT 31 29 32 112 CONECT 32 31 33 73 113 CONECT 33 32 34 35 CONECT 34 33 CONECT 35 33 36 114 CONECT 36 35 37 41 115 CONECT 37 36 38 116 117 CONECT 38 37 39 40 118 CONECT 39 38 119 120 121 CONECT 40 38 122 123 124 CONECT 41 36 42 43 CONECT 42 41 CONECT 43 41 44 125 CONECT 44 43 45 49 126 CONECT 45 44 46 127 128 CONECT 46 45 47 48 129 CONECT 47 46 130 131 132 CONECT 48 46 133 134 135 CONECT 49 44 50 51 CONECT 50 49 CONECT 51 49 52 136 CONECT 52 51 53 55 137 CONECT 53 52 54 138 139 CONECT 54 53 140 CONECT 55 52 56 57 CONECT 56 55 CONECT 57 55 58 141 CONECT 58 57 59 63 142 CONECT 59 58 60 143 144 CONECT 60 59 61 62 145 CONECT 61 60 146 147 148 CONECT 62 60 149 150 151 CONECT 63 58 64 65 CONECT 64 63 CONECT 65 63 66 152 CONECT 66 65 67 70 153 CONECT 67 66 68 69 154 CONECT 68 67 155 156 157 CONECT 69 67 158 159 160 CONECT 70 66 71 72 CONECT 71 70 CONECT 72 70 73 CONECT 73 72 74 32 161 CONECT 74 73 162 163 164 CONECT 75 1 CONECT 76 1 CONECT 77 1 CONECT 78 2 CONECT 79 2 CONECT 80 3 CONECT 81 3 CONECT 82 4 CONECT 83 4 CONECT 84 5 CONECT 85 5 CONECT 86 6 CONECT 87 6 CONECT 88 7 CONECT 89 7 CONECT 90 8 CONECT 91 9 CONECT 92 10 CONECT 93 11 CONECT 94 12 CONECT 95 12 CONECT 96 15 CONECT 97 16 CONECT 98 17 CONECT 99 17 CONECT 100 18 CONECT 101 19 CONECT 102 19 CONECT 103 19 CONECT 104 20 CONECT 105 20 CONECT 106 20 CONECT 107 23 CONECT 108 24 CONECT 109 25 CONECT 110 25 CONECT 111 28 CONECT 112 31 CONECT 113 32 CONECT 114 35 CONECT 115 36 CONECT 116 37 CONECT 117 37 CONECT 118 38 CONECT 119 39 CONECT 120 39 CONECT 121 39 CONECT 122 40 CONECT 123 40 CONECT 124 40 CONECT 125 43 CONECT 126 44 CONECT 127 45 CONECT 128 45 CONECT 129 46 CONECT 130 47 CONECT 131 47 CONECT 132 47 CONECT 133 48 CONECT 134 48 CONECT 135 48 CONECT 136 51 CONECT 137 52 CONECT 138 53 CONECT 139 53 CONECT 140 54 CONECT 141 57 CONECT 142 58 CONECT 143 59 CONECT 144 59 CONECT 145 60 CONECT 146 61 CONECT 147 61 CONECT 148 61 CONECT 149 62 CONECT 150 62 CONECT 151 62 CONECT 152 65 CONECT 153 66 CONECT 154 67 CONECT 155 68 CONECT 156 68 CONECT 157 68 CONECT 158 69 CONECT 159 69 CONECT 160 69 CONECT 161 73 CONECT 162 74 CONECT 163 74 CONECT 164 74 MASTER 0 0 0 0 0 0 0 0 164 0 328 0 END SMILES for NP0020850 (Bananamide G)[H]OC(=O)C([H])([H])[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])[C@@]([H])(O[H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(=O)N([H])[C@@]1([H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)O[C@]1([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])O[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H] INCHI for NP0020850 (Bananamide G)InChI=1S/C52H90N8O14/c1-13-14-15-16-17-18-19-20-34(62)25-41(63)53-35(21-28(2)3)45(66)56-39(26-42(64)65)49(70)60-44-33(12)74-52(73)43(32(10)11)59-48(69)38(24-31(8)9)55-50(71)40(27-61)58-47(68)36(22-29(4)5)54-46(67)37(23-30(6)7)57-51(44)72/h19-20,28-40,43-44,61-62H,13-18,21-27H2,1-12H3,(H,53,63)(H,54,67)(H,55,71)(H,56,66)(H,57,72)(H,58,68)(H,59,69)(H,60,70)(H,64,65)/b20-19-/t33-,34+,35+,36+,37+,38+,39+,40+,43+,44-/m1/s1 3D Structure for NP0020850 (Bananamide G) | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
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| Chemical Formula | C52H90N8O14 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1051.3340 Da | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1050.65765 Da | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (3S)-3-{2-[(3R,4Z)-3-hydroxydodec-4-enamido]-4-methylpentanamido}-3-{[(3S,6S,9S,15S,18R,19R)-9-(hydroxymethyl)-19-methyl-6,12,15-tris(2-methylpropyl)-2,5,8,11,14,17-hexaoxo-3-(propan-2-yl)-1-oxa-4,7,10,13,16-pentaazacyclononadecan-18-yl]carbamoyl}propanoic acid | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (3S)-3-{2-[(3R,4Z)-3-hydroxydodec-4-enamido]-4-methylpentanamido}-3-{[(3S,6S,9S,15S,18R,19R)-9-(hydroxymethyl)-3-isopropyl-19-methyl-6,12,15-tris(2-methylpropyl)-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentaazacyclononadecan-18-yl]carbamoyl}propanoic acid | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CCCCCCC\C=C/C(O)CC(=O)NC(CC(C)C)C(=O)NC(CC(O)=O)C(=O)NC1C(C)OC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC1=O)C(C)C | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C52H90N8O14/c1-13-14-15-16-17-18-19-20-34(62)25-41(63)53-35(21-28(2)3)45(66)56-39(26-42(64)65)49(70)60-44-33(12)74-52(73)43(32(10)11)59-48(69)38(24-31(8)9)55-50(71)40(27-61)58-47(68)36(22-29(4)5)54-46(67)37(23-30(6)7)57-51(44)72/h19-20,28-40,43-44,61-62H,13-18,21-27H2,1-12H3,(H,53,63)(H,54,67)(H,55,71)(H,56,66)(H,57,72)(H,58,68)(H,59,69)(H,60,70)(H,64,65)/b20-19- | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | OQVKCEVXGNJSOO-VXPUYCOJSA-N | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Chemical Shift Submissions | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
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| Chemical Taxonomy | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Classification | Not classified | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
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| Predicted Properties |
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| External Links | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA026210 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| 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 | 146682669 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
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