Showing NP-Card for Prezeamine (NP0017813)
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| Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-06 02:27:48 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:26:30 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0017813 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Prezeamine | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Prezeamine is found in Serratia plymuthica and Serratia plymuthica RVH1. It was first documented in 2015 (PMID: 29560178). Based on a literature review very few articles have been published on 2-amino-3-[(1-{[3-({4,6-dihydroxy-2-methyl-7-[(11,19,27,35-tetraamino-3-hydroxytetracontyl)-C-hydroxycarbonimidoyl]heptan-3-yl}-C-hydroxycarbonimidoyl)-5,8,11-trihydroxy-6-[(C-hydroxycarbonimidoyl)methyl]-2-methyl-1,4,7-triazacycloundeca-1(11),4,7-trien-9-yl]-C-hydroxycarbonimidoyl}-2-(1H-imidazol-5-yl)ethyl)-C-hydroxycarbonimidoyl]propanoic acid. | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0017813 (Prezeamine)
Mrv1652307042107373D
232233 0 0 0 0 999 V2000
-6.5448 -4.9592 5.5395 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3582 -5.3318 4.3356 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.5724 -5.1287 3.0392 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.1765 -3.6988 2.8771 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.4509 -3.3482 1.6210 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.1421 -4.0194 1.4365 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.3488 -5.4674 1.4296 N 0 0 2 0 0 0 0 0 0 0 0 0
-3.5527 -3.6922 0.0532 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.2364 -4.4205 -0.0618 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.6486 -4.2473 -1.4683 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.4022 -5.0109 -1.6402 C 0 0 1 0 0 0 0 0 0 0 0 0
0.8188 -4.6283 -0.8945 C 0 0 2 0 0 0 0 0 0 0 0 0
1.3472 -3.2868 -1.3698 C 0 0 1 0 0 0 0 0 0 0 0 0
2.6367 -3.0110 -0.7083 C 0 0 1 0 0 0 0 0 0 0 0 0
2.7037 -2.7528 0.7394 C 0 0 1 0 0 0 0 0 0 0 0 0
4.1559 -2.6173 1.0830 N 0 0 2 0 0 0 0 0 0 0 0 0
2.2437 -1.2735 1.0211 C 0 0 2 0 0 0 0 0 0 0 0 0
2.3999 -1.1119 2.5260 C 0 0 1 0 0 0 0 0 0 0 0 0
2.1582 0.2680 3.0130 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3547 0.4088 4.4720 C 0 0 1 0 0 0 0 0 0 0 0 0
1.4119 -0.1291 5.4508 C 0 0 2 0 0 0 0 0 0 0 0 0
0.9800 -1.5476 5.3770 C 0 0 2 0 0 0 0 0 0 0 0 0
0.1517 -1.7992 6.6476 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.4631 -3.1415 6.6465 C 0 0 2 0 0 0 0 0 0 0 0 0
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-8.9644 5.4853 2.7202 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.8852 6.0003 1.8728 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.0522 7.0259 2.5550 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.9387 7.6300 1.7749 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.9558 6.6947 1.1791 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.3351 5.8167 1.9958 O 0 0 0 0 0 0 0 0 0 0 0 0
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-4.2778 5.3227 -0.7612 C 0 0 2 0 0 0 0 0 0 0 0 0
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-3.6640 4.0871 -2.7518 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.5461 0.8540 -6.8977 C 0 0 1 0 0 0 0 0 0 0 0 0
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1.6436 0.0783 -5.9086 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.5581 -0.9285 -5.4144 C 0 0 2 0 0 0 0 0 0 0 0 0
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3.1711 0.4183 -3.2783 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.7669 1.7577 -3.2692 C 0 0 2 0 0 0 0 0 0 0 0 0
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81 77 1 0 0 0 0
1100 1 0 0 0 0
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21140 1 0 0 0 0
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23144 1 0 0 0 0
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27150 1 0 0 0 0
27151 1 0 0 0 0
28152 1 0 0 0 0
28153 1 0 0 0 0
29154 1 0 0 0 0
29155 1 0 0 0 0
30156 1 0 0 0 0
30157 1 0 0 0 0
31158 1 0 0 0 0
31159 1 0 0 0 0
32160 1 0 0 0 0
32161 1 0 0 0 0
33162 1 1 0 0 0
34163 1 0 0 0 0
34164 1 0 0 0 0
35165 1 0 0 0 0
35166 1 0 0 0 0
36167 1 0 0 0 0
36168 1 0 0 0 0
37169 1 0 0 0 0
37170 1 0 0 0 0
38171 1 0 0 0 0
38172 1 0 0 0 0
39173 1 0 0 0 0
39174 1 0 0 0 0
40175 1 0 0 0 0
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41178 1 0 0 0 0
42179 1 6 0 0 0
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44181 1 0 0 0 0
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46185 1 0 0 0 0
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55194 1 6 0 0 0
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66201 1 0 0 0 0
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78209 1 0 0 0 0
80210 1 0 0 0 0
81211 1 0 0 0 0
82212 1 0 0 0 0
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98228 1 0 0 0 0
98229 1 0 0 0 0
99230 1 0 0 0 0
99231 1 0 0 0 0
99232 1 0 0 0 0
M END
3D MOL for NP0017813 (Prezeamine)
RDKit 3D
232233 0 0 0 0 0 0 0 0999 V2000
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95 59 1 0
81 77 1 0
1100 1 0
1101 1 0
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5110 1 0
6111 1 1
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9117 1 0
10118 1 0
10119 1 0
11120 1 0
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17131 1 0
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20137 1 0
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30156 1 0
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31158 1 0
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32160 1 0
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40175 1 0
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41177 1 0
41178 1 0
42179 1 6
43180 1 0
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46185 1 0
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50188 1 1
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63198 1 1
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98228 1 0
98229 1 0
99230 1 0
99231 1 0
99232 1 0
M END
3D SDF for NP0017813 (Prezeamine)
Mrv1652307042107373D
232233 0 0 0 0 999 V2000
-6.5448 -4.9592 5.5395 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3582 -5.3318 4.3356 C 0 0 2 0 0 0 0 0 0 0 0 0
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2.7037 -2.7528 0.7394 C 0 0 1 0 0 0 0 0 0 0 0 0
4.1559 -2.6173 1.0830 N 0 0 2 0 0 0 0 0 0 0 0 0
2.2437 -1.2735 1.0211 C 0 0 2 0 0 0 0 0 0 0 0 0
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2.1582 0.2680 3.0130 C 0 0 1 0 0 0 0 0 0 0 0 0
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1.4119 -0.1291 5.4508 C 0 0 2 0 0 0 0 0 0 0 0 0
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-4.2778 5.3227 -0.7612 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.5293 5.0337 -2.1722 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.6640 4.0871 -2.7518 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.6436 0.0783 -5.9086 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9460 1.2862 -5.8578 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5581 -0.9285 -5.4144 C 0 0 2 0 0 0 0 0 0 0 0 0
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3.1711 0.4183 -3.2783 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4554 0.2138 -2.1984 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7669 1.7577 -3.2692 C 0 0 2 0 0 0 0 0 0 0 0 0
2.6474 2.7642 -2.9376 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0213 2.4740 -1.6289 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6871 2.6266 -0.3903 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8107 2.0559 -1.5386 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4576 2.1896 -4.4272 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4187 1.5812 -5.2272 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3039 1.6858 -6.4753 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6187 0.7948 -4.8065 C 0 0 1 0 0 0 0 0 0 0 0 0
6.7579 0.6514 -3.4114 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1835 1.7747 -2.6697 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4029 2.8624 -3.3633 O 0 0 0 0 0 0 0 0 0 0 0 0
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52 53 1 0 0 0 0
53 54 1 0 0 0 0
53 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 2 0 0 0 0
57 59 1 0 0 0 0
59 60 1 0 0 0 0
60 61 1 0 0 0 0
61 62 2 0 0 0 0
61 63 1 0 0 0 0
63 64 1 0 0 0 0
64 65 1 0 0 0 0
65 66 1 0 0 0 0
65 67 2 0 0 0 0
63 68 1 0 0 0 0
68 69 1 0 0 0 0
69 70 2 0 0 0 0
69 71 1 0 0 0 0
71 72 1 0 0 0 0
72 73 1 0 0 0 0
73 74 2 0 0 0 0
73 75 1 0 0 0 0
75 76 1 0 0 0 0
76 77 1 0 0 0 0
77 78 2 0 0 0 0
78 79 1 0 0 0 0
79 80 2 0 0 0 0
80 81 1 0 0 0 0
75 82 1 0 0 0 0
82 83 1 0 0 0 0
83 84 2 0 0 0 0
83 85 1 0 0 0 0
85 86 1 0 0 0 0
86 87 1 0 0 0 0
86 88 1 0 0 0 0
88 89 2 0 0 0 0
88 90 1 0 0 0 0
71 91 1 0 0 0 0
91 92 1 0 0 0 0
92 93 2 0 0 0 0
92 94 1 0 0 0 0
94 95 1 0 0 0 0
95 96 1 0 0 0 0
55 97 1 0 0 0 0
97 98 1 0 0 0 0
97 99 1 0 0 0 0
95 59 1 0 0 0 0
81 77 1 0 0 0 0
1100 1 0 0 0 0
1101 1 0 0 0 0
1102 1 0 0 0 0
2103 1 0 0 0 0
2104 1 0 0 0 0
3105 1 0 0 0 0
3106 1 0 0 0 0
4107 1 0 0 0 0
4108 1 0 0 0 0
5109 1 0 0 0 0
5110 1 0 0 0 0
6111 1 1 0 0 0
7112 1 0 0 0 0
7113 1 0 0 0 0
8114 1 0 0 0 0
8115 1 0 0 0 0
9116 1 0 0 0 0
9117 1 0 0 0 0
10118 1 0 0 0 0
10119 1 0 0 0 0
11120 1 0 0 0 0
11121 1 0 0 0 0
12122 1 0 0 0 0
12123 1 0 0 0 0
13124 1 0 0 0 0
13125 1 0 0 0 0
14126 1 0 0 0 0
14127 1 0 0 0 0
15128 1 1 0 0 0
16129 1 0 0 0 0
16130 1 0 0 0 0
17131 1 0 0 0 0
17132 1 0 0 0 0
18133 1 0 0 0 0
18134 1 0 0 0 0
19135 1 0 0 0 0
19136 1 0 0 0 0
20137 1 0 0 0 0
20138 1 0 0 0 0
21139 1 0 0 0 0
21140 1 0 0 0 0
22141 1 0 0 0 0
22142 1 0 0 0 0
23143 1 0 0 0 0
23144 1 0 0 0 0
24145 1 1 0 0 0
25146 1 0 0 0 0
25147 1 0 0 0 0
26148 1 0 0 0 0
26149 1 0 0 0 0
27150 1 0 0 0 0
27151 1 0 0 0 0
28152 1 0 0 0 0
28153 1 0 0 0 0
29154 1 0 0 0 0
29155 1 0 0 0 0
30156 1 0 0 0 0
30157 1 0 0 0 0
31158 1 0 0 0 0
31159 1 0 0 0 0
32160 1 0 0 0 0
32161 1 0 0 0 0
33162 1 1 0 0 0
34163 1 0 0 0 0
34164 1 0 0 0 0
35165 1 0 0 0 0
35166 1 0 0 0 0
36167 1 0 0 0 0
36168 1 0 0 0 0
37169 1 0 0 0 0
37170 1 0 0 0 0
38171 1 0 0 0 0
38172 1 0 0 0 0
39173 1 0 0 0 0
39174 1 0 0 0 0
40175 1 0 0 0 0
40176 1 0 0 0 0
41177 1 0 0 0 0
41178 1 0 0 0 0
42179 1 6 0 0 0
43180 1 0 0 0 0
44181 1 0 0 0 0
44182 1 0 0 0 0
45183 1 0 0 0 0
45184 1 0 0 0 0
46185 1 0 0 0 0
49186 1 0 0 0 0
49187 1 0 0 0 0
50188 1 1 0 0 0
51189 1 0 0 0 0
52190 1 0 0 0 0
52191 1 0 0 0 0
53192 1 1 0 0 0
54193 1 0 0 0 0
55194 1 6 0 0 0
56195 1 0 0 0 0
59196 1 1 0 0 0
60197 1 0 0 0 0
63198 1 1 0 0 0
64199 1 0 0 0 0
64200 1 0 0 0 0
66201 1 0 0 0 0
66202 1 0 0 0 0
68203 1 0 0 0 0
71204 1 6 0 0 0
72205 1 0 0 0 0
75206 1 6 0 0 0
76207 1 0 0 0 0
76208 1 0 0 0 0
78209 1 0 0 0 0
80210 1 0 0 0 0
81211 1 0 0 0 0
82212 1 0 0 0 0
85213 1 0 0 0 0
85214 1 0 0 0 0
86215 1 1 0 0 0
87216 1 0 0 0 0
87217 1 0 0 0 0
90218 1 0 0 0 0
91219 1 0 0 0 0
91220 1 0 0 0 0
94221 1 0 0 0 0
95222 1 6 0 0 0
96223 1 0 0 0 0
96224 1 0 0 0 0
96225 1 0 0 0 0
97226 1 6 0 0 0
98227 1 0 0 0 0
98228 1 0 0 0 0
98229 1 0 0 0 0
99230 1 0 0 0 0
99231 1 0 0 0 0
99232 1 0 0 0 0
M END
> <DATABASE_ID>
NP0017813
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C(=O)N([H])[C@]([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@@]([H])(O[H])C([H])([H])[C@]([H])(O[H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(N([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])(N([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])(N([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])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]([H])(N([H])C(=O)C1([H])[H])C([H])([H])[H])C([H])([H])C(=O)N([H])[H])C([H])([H])C1=C([H])N=C([H])N1[H]
> <INCHI_IDENTIFIER>
InChI=1S/C71H133N15O13/c1-5-6-19-28-49(72)29-20-11-7-12-21-30-50(73)31-22-13-8-14-23-32-51(74)33-24-15-9-16-25-34-52(75)35-26-17-10-18-27-36-54(87)37-38-79-62(91)41-55(88)40-60(89)65(47(2)3)85-70(97)66-48(4)81-64(93)44-59(68(95)83-58(43-61(77)90)69(96)86-66)84-67(94)57(39-53-45-78-46-80-53)82-63(92)42-56(76)71(98)99/h45-52,54-60,65-66,87-89H,5-44,72-76H2,1-4H3,(H2,77,90)(H,78,80)(H,79,91)(H,81,93)(H,82,92)(H,83,95)(H,84,94)(H,85,97)(H,86,96)(H,98,99)/t48-,49+,50+,51-,52-,54+,55-,56-,57-,58-,59-,60-,65-,66+/m0/s1
> <INCHI_KEY>
YSKPBPMQZLMBEW-UHFFFAOYSA-N
> <FORMULA>
C71H133N15O13
> <MOLECULAR_WEIGHT>
1404.937
> <EXACT_MASS>
1404.020729403
> <JCHEM_ACCEPTOR_COUNT>
19
> <JCHEM_ATOM_COUNT>
232
> <JCHEM_AVERAGE_POLARIZABILITY>
158.933830910298
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
18
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(2S)-2-amino-3-[(1-{[(2S,3R,6S,9S)-6-(carbamoylmethyl)-3-{[(3S,4S,6S)-4,6-dihydroxy-2-methyl-7-{[(11S,19S,27R,35R)-11,19,27,35-tetraamino-3-hydroxytetracontyl]carbamoyl}heptan-3-yl]carbamoyl}-2-methyl-5,8,11-trioxo-1,4,7-triazacycloundecan-9-yl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl)carbamoyl]propanoic acid
> <JCHEM_LOGP>
-1.3319448434170011
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
2
> <JCHEM_PHYSIOLOGICAL_CHARGE>
5
> <JCHEM_PKA>
11.253378041411356
> <JCHEM_PKA_STRONGEST_ACIDIC>
1.6756945294954835
> <JCHEM_PKA_STRONGEST_BASIC>
10.837448830979044
> <JCHEM_POLAR_SURFACE_AREA>
503.55999999999983
> <JCHEM_REFRACTIVITY>
380.46720000000005
> <JCHEM_ROTATABLE_BOND_COUNT>
57
> <JCHEM_RULE_OF_FIVE>
0
> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-amino-3-[(1-{[(2S,3R,6S,9S)-6-(carbamoylmethyl)-3-{[(3S,4S,6S)-4,6-dihydroxy-2-methyl-7-{[(11S,19S,27R,35R)-11,19,27,35-tetraamino-3-hydroxytetracontyl]carbamoyl}heptan-3-yl]carbamoyl}-2-methyl-5,8,11-trioxo-1,4,7-triazacycloundecan-9-yl]carbamoyl}-2-(3H-imidazol-4-yl)ethyl)carbamoyl]propanoic acid
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0017813 (Prezeamine)
RDKit 3D
232233 0 0 0 0 0 0 0 0999 V2000
-6.5448 -4.9592 5.5395 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3582 -5.3318 4.3356 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5724 -5.1287 3.0392 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1765 -3.6988 2.8771 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4509 -3.3482 1.6210 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1421 -4.0194 1.4365 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.3488 -5.4674 1.4296 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.5527 -3.6922 0.0532 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2364 -4.4205 -0.0618 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6486 -4.2473 -1.4683 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4022 -5.0109 -1.6402 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8188 -4.6283 -0.8945 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3472 -3.2868 -1.3698 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6367 -3.0110 -0.7083 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7037 -2.7528 0.7394 C 0 0 1 0 0 0 0 0 0 0 0 0
4.1559 -2.6173 1.0830 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2437 -1.2735 1.0211 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3999 -1.1119 2.5260 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1582 0.2680 3.0130 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3547 0.4088 4.4720 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4119 -0.1291 5.4508 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9800 -1.5476 5.3770 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1517 -1.7992 6.6476 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4631 -3.1415 6.6465 C 0 0 2 0 0 0 0 0 0 0 0 0
0.5961 -4.1372 6.5341 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5386 -3.4293 5.6848 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8117 -2.7099 5.7136 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9337 -1.2531 5.5720 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4561 -0.9665 5.6413 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7247 0.5021 5.5820 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2739 1.2176 4.3619 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6352 2.7064 4.4935 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1268 2.9090 4.5934 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.7507 2.4371 3.4053 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.4098 4.3952 4.8054 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8491 4.7214 4.9421 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7913 4.5824 3.8509 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9644 5.4853 2.7202 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8852 6.0003 1.8728 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0522 7.0259 2.5550 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9387 7.6300 1.7749 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9558 6.6947 1.1791 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.3351 5.8167 1.9958 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2819 6.3063 -0.2214 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2778 5.3227 -0.7612 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5293 5.0337 -2.1722 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.6640 4.0871 -2.7518 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7578 3.5105 -2.0573 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7569 3.7223 -4.1945 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7978 2.5991 -4.3893 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.0792 1.4373 -3.7050 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3089 2.3272 -5.7743 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3738 1.1645 -5.6636 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.3907 1.6039 -4.7024 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5461 0.8540 -6.8977 C 0 0 1 0 0 0 0 0 0 0 0 0
0.3680 -0.2183 -6.4569 N 0 0 0 0 0 0 0 0 0 0 0 0
1.6436 0.0783 -5.9086 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9460 1.2862 -5.8578 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5581 -0.9285 -5.4144 C 0 0 2 0 0 0 0 0 0 0 0 0
3.1945 -0.6500 -4.1413 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1711 0.4183 -3.2783 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4554 0.2138 -2.1984 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7669 1.7577 -3.2692 C 0 0 2 0 0 0 0 0 0 0 0 0
2.6474 2.7642 -2.9376 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0213 2.4740 -1.6289 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6871 2.6266 -0.3903 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8107 2.0559 -1.5386 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4576 2.1896 -4.4272 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4187 1.5812 -5.2272 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3039 1.6858 -6.4753 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6187 0.7948 -4.8065 C 0 0 1 0 0 0 0 0 0 0 0 0
6.7579 0.6514 -3.4114 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1835 1.7747 -2.6697 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4029 2.8624 -3.3633 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4148 1.9486 -1.2437 C 0 0 2 0 0 0 0 0 0 0 0 0
7.5555 0.7683 -0.4174 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7325 -0.0701 -0.7366 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0262 0.1231 -0.2362 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7874 -0.8578 -0.7235 N 0 0 0 0 0 0 0 0 0 0 0 0
10.0582 -1.6524 -1.4953 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7860 -1.1517 -1.4926 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7346 3.1093 -0.7244 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2820 4.3940 -0.8776 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3678 4.6522 -1.4406 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5029 5.5549 -0.3317 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1368 6.8673 -0.7216 C 0 0 2 0 0 0 0 0 0 0 0 0
7.1618 6.9160 -2.1801 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4623 6.9605 -0.1032 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6310 6.9520 1.1516 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5813 7.0648 -0.9372 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6903 -0.4425 -5.6096 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8853 -1.5891 -5.1314 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3643 -2.2226 -4.1156 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6809 -2.0484 -5.6656 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6613 -1.3480 -6.3961 C 0 0 1 0 0 0 0 0 0 0 0 0
3.0709 -2.3634 -7.3971 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2459 0.5859 -8.1409 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.1964 0.3184 -9.2288 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1277 -0.6243 -8.1152 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4567 -5.0052 5.3519 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8114 -5.6410 6.3871 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8109 -3.9355 5.9087 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2689 -4.7339 4.2570 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6290 -6.4310 4.3123 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7186 -5.8462 3.1389 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1865 -5.4504 2.2006 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5327 -3.4660 3.7818 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0900 -3.0763 3.0297 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3655 -2.2241 1.5043 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1696 -3.6065 0.7725 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3944 -3.7508 2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5646 -5.9652 1.8956 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5457 -5.7930 0.4562 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2679 -4.0160 -0.7322 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3585 -2.6192 -0.0317 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3858 -5.4981 0.1313 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5067 -3.9744 0.6386 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4120 -3.1618 -1.5578 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4106 -4.4412 -2.2450 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6064 -6.1278 -1.4959 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1587 -4.9833 -2.7623 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5864 -5.4106 -1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5583 -4.5811 0.1977 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5411 -3.4147 -2.4587 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5736 -2.5070 -1.2079 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2944 -3.9299 -0.9534 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2272 -2.1968 -1.2134 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2609 -3.4339 1.4342 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7334 -2.6488 0.2179 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4562 -3.4259 1.6733 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2192 -1.1872 0.6772 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9589 -0.6572 0.4563 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7512 -1.8410 2.9773 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4491 -1.3874 2.8291 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9125 0.9604 2.5141 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1796 0.6839 2.6602 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3798 -0.0518 4.7360 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5451 1.5036 4.7245 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4343 0.4723 5.3136 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6981 0.1530 6.5165 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8425 -2.2148 5.3156 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2799 -1.6106 4.5017 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4299 -0.9172 6.8427 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9618 -1.7802 7.4557 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9083 -3.3837 7.6825 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3246 -5.0117 7.0288 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5325 -3.7838 6.7444 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8179 -4.5274 5.8716 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1252 -3.5316 4.6166 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4713 -3.1728 4.9176 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4078 -2.9792 6.6609 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6443 -0.8445 4.5672 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5411 -0.6166 6.3727 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9698 -1.4318 4.7811 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8746 -1.4386 6.5573 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1079 0.9457 6.4383 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7653 0.7455 5.8813 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8596 0.8334 3.5023 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1869 1.1894 4.2005 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1133 3.1548 5.3456 H 0 0 0 0 0 0 0 0 0 0 0 0
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M END
PDB for NP0017813 (Prezeamine)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 -6.545 -4.959 5.540 0.00 0.00 C+0 HETATM 2 C UNK 0 -7.358 -5.332 4.336 0.00 0.00 C+0 HETATM 3 C UNK 0 -6.572 -5.129 3.039 0.00 0.00 C+0 HETATM 4 C UNK 0 -6.176 -3.699 2.877 0.00 0.00 C+0 HETATM 5 C UNK 0 -5.451 -3.348 1.621 0.00 0.00 C+0 HETATM 6 C UNK 0 -4.142 -4.019 1.437 0.00 0.00 C+0 HETATM 7 N UNK 0 -4.349 -5.467 1.430 0.00 0.00 N+0 HETATM 8 C UNK 0 -3.553 -3.692 0.053 0.00 0.00 C+0 HETATM 9 C UNK 0 -2.236 -4.420 -0.062 0.00 0.00 C+0 HETATM 10 C UNK 0 -1.649 -4.247 -1.468 0.00 0.00 C+0 HETATM 11 C UNK 0 -0.402 -5.011 -1.640 0.00 0.00 C+0 HETATM 12 C UNK 0 0.819 -4.628 -0.895 0.00 0.00 C+0 HETATM 13 C UNK 0 1.347 -3.287 -1.370 0.00 0.00 C+0 HETATM 14 C UNK 0 2.637 -3.011 -0.708 0.00 0.00 C+0 HETATM 15 C UNK 0 2.704 -2.753 0.739 0.00 0.00 C+0 HETATM 16 N UNK 0 4.156 -2.617 1.083 0.00 0.00 N+0 HETATM 17 C UNK 0 2.244 -1.274 1.021 0.00 0.00 C+0 HETATM 18 C UNK 0 2.400 -1.112 2.526 0.00 0.00 C+0 HETATM 19 C UNK 0 2.158 0.268 3.013 0.00 0.00 C+0 HETATM 20 C UNK 0 2.355 0.409 4.472 0.00 0.00 C+0 HETATM 21 C UNK 0 1.412 -0.129 5.451 0.00 0.00 C+0 HETATM 22 C UNK 0 0.980 -1.548 5.377 0.00 0.00 C+0 HETATM 23 C UNK 0 0.152 -1.799 6.648 0.00 0.00 C+0 HETATM 24 C UNK 0 -0.463 -3.142 6.646 0.00 0.00 C+0 HETATM 25 N UNK 0 0.596 -4.137 6.534 0.00 0.00 N+0 HETATM 26 C UNK 0 -1.539 -3.429 5.685 0.00 0.00 C+0 HETATM 27 C UNK 0 -2.812 -2.710 5.714 0.00 0.00 C+0 HETATM 28 C UNK 0 -2.934 -1.253 5.572 0.00 0.00 C+0 HETATM 29 C UNK 0 -4.456 -0.967 5.641 0.00 0.00 C+0 HETATM 30 C UNK 0 -4.725 0.502 5.582 0.00 0.00 C+0 HETATM 31 C UNK 0 -4.274 1.218 4.362 0.00 0.00 C+0 HETATM 32 C UNK 0 -4.635 2.706 4.494 0.00 0.00 C+0 HETATM 33 C UNK 0 -6.127 2.909 4.593 0.00 0.00 C+0 HETATM 34 N UNK 0 -6.751 2.437 3.405 0.00 0.00 N+0 HETATM 35 C UNK 0 -6.410 4.395 4.805 0.00 0.00 C+0 HETATM 36 C UNK 0 -7.849 4.721 4.942 0.00 0.00 C+0 HETATM 37 C UNK 0 -8.791 4.582 3.851 0.00 0.00 C+0 HETATM 38 C UNK 0 -8.964 5.485 2.720 0.00 0.00 C+0 HETATM 39 C UNK 0 -7.885 6.000 1.873 0.00 0.00 C+0 HETATM 40 C UNK 0 -7.052 7.026 2.555 0.00 0.00 C+0 HETATM 41 C UNK 0 -5.939 7.630 1.775 0.00 0.00 C+0 HETATM 42 C UNK 0 -4.956 6.695 1.179 0.00 0.00 C+0 HETATM 43 O UNK 0 -4.335 5.817 1.996 0.00 0.00 O+0 HETATM 44 C UNK 0 -5.282 6.306 -0.221 0.00 0.00 C+0 HETATM 45 C UNK 0 -4.278 5.323 -0.761 0.00 0.00 C+0 HETATM 46 N UNK 0 -4.529 5.034 -2.172 0.00 0.00 N+0 HETATM 47 C UNK 0 -3.664 4.087 -2.752 0.00 0.00 C+0 HETATM 48 O UNK 0 -2.758 3.510 -2.057 0.00 0.00 O+0 HETATM 49 C UNK 0 -3.757 3.722 -4.194 0.00 0.00 C+0 HETATM 50 C UNK 0 -2.798 2.599 -4.389 0.00 0.00 C+0 HETATM 51 O UNK 0 -3.079 1.437 -3.705 0.00 0.00 O+0 HETATM 52 C UNK 0 -2.309 2.327 -5.774 0.00 0.00 C+0 HETATM 53 C UNK 0 -1.374 1.165 -5.664 0.00 0.00 C+0 HETATM 54 O UNK 0 -0.391 1.604 -4.702 0.00 0.00 O+0 HETATM 55 C UNK 0 -0.546 0.854 -6.898 0.00 0.00 C+0 HETATM 56 N UNK 0 0.368 -0.218 -6.457 0.00 0.00 N+0 HETATM 57 C UNK 0 1.644 0.078 -5.909 0.00 0.00 C+0 HETATM 58 O UNK 0 1.946 1.286 -5.858 0.00 0.00 O+0 HETATM 59 C UNK 0 2.558 -0.929 -5.414 0.00 0.00 C+0 HETATM 60 N UNK 0 3.195 -0.650 -4.141 0.00 0.00 N+0 HETATM 61 C UNK 0 3.171 0.418 -3.278 0.00 0.00 C+0 HETATM 62 O UNK 0 2.455 0.214 -2.198 0.00 0.00 O+0 HETATM 63 C UNK 0 3.767 1.758 -3.269 0.00 0.00 C+0 HETATM 64 C UNK 0 2.647 2.764 -2.938 0.00 0.00 C+0 HETATM 65 C UNK 0 2.021 2.474 -1.629 0.00 0.00 C+0 HETATM 66 N UNK 0 2.687 2.627 -0.390 0.00 0.00 N+0 HETATM 67 O UNK 0 0.811 2.056 -1.539 0.00 0.00 O+0 HETATM 68 N UNK 0 4.458 2.190 -4.427 0.00 0.00 N+0 HETATM 69 C UNK 0 5.419 1.581 -5.227 0.00 0.00 C+0 HETATM 70 O UNK 0 5.304 1.686 -6.475 0.00 0.00 O+0 HETATM 71 C UNK 0 6.619 0.795 -4.806 0.00 0.00 C+0 HETATM 72 N UNK 0 6.758 0.651 -3.411 0.00 0.00 N+0 HETATM 73 C UNK 0 7.184 1.775 -2.670 0.00 0.00 C+0 HETATM 74 O UNK 0 7.403 2.862 -3.363 0.00 0.00 O+0 HETATM 75 C UNK 0 7.415 1.949 -1.244 0.00 0.00 C+0 HETATM 76 C UNK 0 7.556 0.768 -0.417 0.00 0.00 C+0 HETATM 77 C UNK 0 8.732 -0.070 -0.737 0.00 0.00 C+0 HETATM 78 C UNK 0 10.026 0.123 -0.236 0.00 0.00 C+0 HETATM 79 N UNK 0 10.787 -0.858 -0.724 0.00 0.00 N+0 HETATM 80 C UNK 0 10.058 -1.652 -1.495 0.00 0.00 C+0 HETATM 81 N UNK 0 8.786 -1.152 -1.493 0.00 0.00 N+0 HETATM 82 N UNK 0 6.735 3.109 -0.724 0.00 0.00 N+0 HETATM 83 C UNK 0 7.282 4.394 -0.878 0.00 0.00 C+0 HETATM 84 O UNK 0 8.368 4.652 -1.441 0.00 0.00 O+0 HETATM 85 C UNK 0 6.503 5.555 -0.332 0.00 0.00 C+0 HETATM 86 C UNK 0 7.137 6.867 -0.722 0.00 0.00 C+0 HETATM 87 N UNK 0 7.162 6.916 -2.180 0.00 0.00 N+0 HETATM 88 C UNK 0 8.462 6.960 -0.103 0.00 0.00 C+0 HETATM 89 O UNK 0 8.631 6.952 1.152 0.00 0.00 O+0 HETATM 90 O UNK 0 9.581 7.065 -0.937 0.00 0.00 O+0 HETATM 91 C UNK 0 6.690 -0.443 -5.610 0.00 0.00 C+0 HETATM 92 C UNK 0 5.885 -1.589 -5.131 0.00 0.00 C+0 HETATM 93 O UNK 0 6.364 -2.223 -4.116 0.00 0.00 O+0 HETATM 94 N UNK 0 4.681 -2.048 -5.666 0.00 0.00 N+0 HETATM 95 C UNK 0 3.661 -1.348 -6.396 0.00 0.00 C+0 HETATM 96 C UNK 0 3.071 -2.363 -7.397 0.00 0.00 C+0 HETATM 97 C UNK 0 -1.246 0.586 -8.141 0.00 0.00 C+0 HETATM 98 C UNK 0 -0.196 0.318 -9.229 0.00 0.00 C+0 HETATM 99 C UNK 0 -2.128 -0.624 -8.115 0.00 0.00 C+0 HETATM 100 H UNK 0 -5.457 -5.005 5.352 0.00 0.00 H+0 HETATM 101 H UNK 0 -6.811 -5.641 6.387 0.00 0.00 H+0 HETATM 102 H UNK 0 -6.811 -3.936 5.909 0.00 0.00 H+0 HETATM 103 H UNK 0 -8.269 -4.734 4.257 0.00 0.00 H+0 HETATM 104 H UNK 0 -7.629 -6.431 4.312 0.00 0.00 H+0 HETATM 105 H UNK 0 -5.719 -5.846 3.139 0.00 0.00 H+0 HETATM 106 H UNK 0 -7.186 -5.450 2.201 0.00 0.00 H+0 HETATM 107 H UNK 0 -5.533 -3.466 3.782 0.00 0.00 H+0 HETATM 108 H UNK 0 -7.090 -3.076 3.030 0.00 0.00 H+0 HETATM 109 H UNK 0 -5.365 -2.224 1.504 0.00 0.00 H+0 HETATM 110 H UNK 0 -6.170 -3.607 0.773 0.00 0.00 H+0 HETATM 111 H UNK 0 -3.394 -3.751 2.168 0.00 0.00 H+0 HETATM 112 H UNK 0 -3.565 -5.965 1.896 0.00 0.00 H+0 HETATM 113 H UNK 0 -4.546 -5.793 0.456 0.00 0.00 H+0 HETATM 114 H UNK 0 -4.268 -4.016 -0.732 0.00 0.00 H+0 HETATM 115 H UNK 0 -3.358 -2.619 -0.032 0.00 0.00 H+0 HETATM 116 H UNK 0 -2.386 -5.498 0.131 0.00 0.00 H+0 HETATM 117 H UNK 0 -1.507 -3.974 0.639 0.00 0.00 H+0 HETATM 118 H UNK 0 -1.412 -3.162 -1.558 0.00 0.00 H+0 HETATM 119 H UNK 0 -2.411 -4.441 -2.245 0.00 0.00 H+0 HETATM 120 H UNK 0 -0.606 -6.128 -1.496 0.00 0.00 H+0 HETATM 121 H UNK 0 -0.159 -4.983 -2.762 0.00 0.00 H+0 HETATM 122 H UNK 0 1.586 -5.411 -1.049 0.00 0.00 H+0 HETATM 123 H UNK 0 0.558 -4.581 0.198 0.00 0.00 H+0 HETATM 124 H UNK 0 1.541 -3.415 -2.459 0.00 0.00 H+0 HETATM 125 H UNK 0 0.574 -2.507 -1.208 0.00 0.00 H+0 HETATM 126 H UNK 0 3.294 -3.930 -0.953 0.00 0.00 H+0 HETATM 127 H UNK 0 3.227 -2.197 -1.213 0.00 0.00 H+0 HETATM 128 H UNK 0 2.261 -3.434 1.434 0.00 0.00 H+0 HETATM 129 H UNK 0 4.733 -2.649 0.218 0.00 0.00 H+0 HETATM 130 H UNK 0 4.456 -3.426 1.673 0.00 0.00 H+0 HETATM 131 H UNK 0 1.219 -1.187 0.677 0.00 0.00 H+0 HETATM 132 H UNK 0 2.959 -0.657 0.456 0.00 0.00 H+0 HETATM 133 H UNK 0 1.751 -1.841 2.977 0.00 0.00 H+0 HETATM 134 H UNK 0 3.449 -1.387 2.829 0.00 0.00 H+0 HETATM 135 H UNK 0 2.913 0.960 2.514 0.00 0.00 H+0 HETATM 136 H UNK 0 1.180 0.684 2.660 0.00 0.00 H+0 HETATM 137 H UNK 0 3.380 -0.052 4.736 0.00 0.00 H+0 HETATM 138 H UNK 0 2.545 1.504 4.724 0.00 0.00 H+0 HETATM 139 H UNK 0 0.434 0.472 5.314 0.00 0.00 H+0 HETATM 140 H UNK 0 1.698 0.153 6.516 0.00 0.00 H+0 HETATM 141 H UNK 0 1.843 -2.215 5.316 0.00 0.00 H+0 HETATM 142 H UNK 0 0.280 -1.611 4.502 0.00 0.00 H+0 HETATM 143 H UNK 0 -0.430 -0.917 6.843 0.00 0.00 H+0 HETATM 144 H UNK 0 0.962 -1.780 7.456 0.00 0.00 H+0 HETATM 145 H UNK 0 -0.908 -3.384 7.683 0.00 0.00 H+0 HETATM 146 H UNK 0 0.325 -5.012 7.029 0.00 0.00 H+0 HETATM 147 H UNK 0 1.533 -3.784 6.744 0.00 0.00 H+0 HETATM 148 H UNK 0 -1.818 -4.527 5.872 0.00 0.00 H+0 HETATM 149 H UNK 0 -1.125 -3.532 4.617 0.00 0.00 H+0 HETATM 150 H UNK 0 -3.471 -3.173 4.918 0.00 0.00 H+0 HETATM 151 H UNK 0 -3.408 -2.979 6.661 0.00 0.00 H+0 HETATM 152 H UNK 0 -2.644 -0.845 4.567 0.00 0.00 H+0 HETATM 153 H UNK 0 -2.541 -0.617 6.373 0.00 0.00 H+0 HETATM 154 H UNK 0 -4.970 -1.432 4.781 0.00 0.00 H+0 HETATM 155 H UNK 0 -4.875 -1.439 6.557 0.00 0.00 H+0 HETATM 156 H UNK 0 -4.108 0.946 6.438 0.00 0.00 H+0 HETATM 157 H UNK 0 -5.765 0.746 5.881 0.00 0.00 H+0 HETATM 158 H UNK 0 -4.860 0.833 3.502 0.00 0.00 H+0 HETATM 159 H UNK 0 -3.187 1.189 4.200 0.00 0.00 H+0 HETATM 160 H UNK 0 -4.113 3.155 5.346 0.00 0.00 H+0 HETATM 161 H UNK 0 -4.318 3.235 3.563 0.00 0.00 H+0 HETATM 162 H UNK 0 -6.579 2.422 5.498 0.00 0.00 H+0 HETATM 163 H UNK 0 -7.117 1.460 3.513 0.00 0.00 H+0 HETATM 164 H UNK 0 -6.126 2.521 2.570 0.00 0.00 H+0 HETATM 165 H UNK 0 -5.922 4.929 3.993 0.00 0.00 H+0 HETATM 166 H UNK 0 -5.919 4.681 5.776 0.00 0.00 H+0 HETATM 167 H UNK 0 -8.234 4.155 5.881 0.00 0.00 H+0 HETATM 168 H UNK 0 -7.914 5.791 5.355 0.00 0.00 H+0 HETATM 169 H UNK 0 -8.742 3.486 3.469 0.00 0.00 H+0 HETATM 170 H UNK 0 -9.859 4.486 4.371 0.00 0.00 H+0 HETATM 171 H UNK 0 -9.714 4.989 1.977 0.00 0.00 H+0 HETATM 172 H UNK 0 -9.656 6.383 3.035 0.00 0.00 H+0 HETATM 173 H UNK 0 -7.268 5.112 1.542 0.00 0.00 H+0 HETATM 174 H UNK 0 -8.243 6.434 0.912 0.00 0.00 H+0 HETATM 175 H UNK 0 -6.782 6.874 3.592 0.00 0.00 H+0 HETATM 176 H UNK 0 -7.810 7.930 2.640 0.00 0.00 H+0 HETATM 177 H UNK 0 -6.385 8.314 0.992 0.00 0.00 H+0 HETATM 178 H UNK 0 -5.393 8.321 2.490 0.00 0.00 H+0 HETATM 179 H UNK 0 -4.005 7.449 0.955 0.00 0.00 H+0 HETATM 180 H UNK 0 -3.554 6.129 2.500 0.00 0.00 H+0 HETATM 181 H UNK 0 -5.242 7.245 -0.872 0.00 0.00 H+0 HETATM 182 H UNK 0 -6.298 5.921 -0.373 0.00 0.00 H+0 HETATM 183 H UNK 0 -4.379 4.389 -0.165 0.00 0.00 H+0 HETATM 184 H UNK 0 -3.233 5.654 -0.634 0.00 0.00 H+0 HETATM 185 H UNK 0 -5.290 5.498 -2.677 0.00 0.00 H+0 HETATM 186 H UNK 0 -4.787 3.357 -4.438 0.00 0.00 H+0 HETATM 187 H UNK 0 -3.445 4.560 -4.825 0.00 0.00 H+0 HETATM 188 H UNK 0 -1.816 2.948 -3.773 0.00 0.00 H+0 HETATM 189 H UNK 0 -2.353 1.043 -3.187 0.00 0.00 H+0 HETATM 190 H UNK 0 -3.176 2.164 -6.421 0.00 0.00 H+0 HETATM 191 H UNK 0 -1.736 3.242 -6.093 0.00 0.00 H+0 HETATM 192 H UNK 0 -1.836 0.292 -5.268 0.00 0.00 H+0 HETATM 193 H UNK 0 -0.215 2.577 -4.917 0.00 0.00 H+0 HETATM 194 H UNK 0 0.127 1.761 -7.019 0.00 0.00 H+0 HETATM 195 H UNK 0 0.049 -1.194 -6.564 0.00 0.00 H+0 HETATM 196 H UNK 0 1.943 -1.883 -5.305 0.00 0.00 H+0 HETATM 197 H UNK 0 3.791 -1.513 -3.836 0.00 0.00 H+0 HETATM 198 H UNK 0 4.404 1.863 -2.331 0.00 0.00 H+0 HETATM 199 H UNK 0 3.145 3.761 -2.812 0.00 0.00 H+0 HETATM 200 H UNK 0 1.859 2.801 -3.680 0.00 0.00 H+0 HETATM 201 H UNK 0 3.381 1.931 -0.074 0.00 0.00 H+0 HETATM 202 H UNK 0 2.470 3.445 0.198 0.00 0.00 H+0 HETATM 203 H UNK 0 4.186 3.189 -4.747 0.00 0.00 H+0 HETATM 204 H UNK 0 7.463 1.505 -5.138 0.00 0.00 H+0 HETATM 205 H UNK 0 6.546 -0.223 -2.926 0.00 0.00 H+0 HETATM 206 H UNK 0 8.547 2.378 -1.260 0.00 0.00 H+0 HETATM 207 H UNK 0 6.598 0.150 -0.518 0.00 0.00 H+0 HETATM 208 H UNK 0 7.603 0.948 0.684 0.00 0.00 H+0 HETATM 209 H UNK 0 10.314 0.918 0.417 0.00 0.00 H+0 HETATM 210 H UNK 0 10.377 -2.516 -2.028 0.00 0.00 H+0 HETATM 211 H UNK 0 8.024 -1.637 -2.034 0.00 0.00 H+0 HETATM 212 H UNK 0 5.832 2.977 -0.233 0.00 0.00 H+0 HETATM 213 H UNK 0 6.391 5.410 0.752 0.00 0.00 H+0 HETATM 214 H UNK 0 5.477 5.576 -0.771 0.00 0.00 H+0 HETATM 215 H UNK 0 6.531 7.734 -0.356 0.00 0.00 H+0 HETATM 216 H UNK 0 6.341 6.355 -2.509 0.00 0.00 H+0 HETATM 217 H UNK 0 7.148 7.883 -2.561 0.00 0.00 H+0 HETATM 218 H UNK 0 9.466 7.664 -1.758 0.00 0.00 H+0 HETATM 219 H UNK 0 6.443 -0.220 -6.697 0.00 0.00 H+0 HETATM 220 H UNK 0 7.766 -0.747 -5.672 0.00 0.00 H+0 HETATM 221 H UNK 0 4.479 -3.087 -5.506 0.00 0.00 H+0 HETATM 222 H UNK 0 3.980 -0.519 -7.011 0.00 0.00 H+0 HETATM 223 H UNK 0 2.050 -1.997 -7.594 0.00 0.00 H+0 HETATM 224 H UNK 0 3.042 -3.374 -6.962 0.00 0.00 H+0 HETATM 225 H UNK 0 3.607 -2.325 -8.364 0.00 0.00 H+0 HETATM 226 H UNK 0 -1.768 1.506 -8.491 0.00 0.00 H+0 HETATM 227 H UNK 0 0.674 1.005 -9.133 0.00 0.00 H+0 HETATM 228 H UNK 0 -0.624 0.556 -10.247 0.00 0.00 H+0 HETATM 229 H UNK 0 0.078 -0.751 -9.271 0.00 0.00 H+0 HETATM 230 H UNK 0 -1.694 -1.483 -8.682 0.00 0.00 H+0 HETATM 231 H UNK 0 -2.217 -0.976 -7.058 0.00 0.00 H+0 HETATM 232 H UNK 0 -3.148 -0.392 -8.544 0.00 0.00 H+0 CONECT 1 2 100 101 102 CONECT 2 1 3 103 104 CONECT 3 2 4 105 106 CONECT 4 3 5 107 108 CONECT 5 4 6 109 110 CONECT 6 5 7 8 111 CONECT 7 6 112 113 CONECT 8 6 9 114 115 CONECT 9 8 10 116 117 CONECT 10 9 11 118 119 CONECT 11 10 12 120 121 CONECT 12 11 13 122 123 CONECT 13 12 14 124 125 CONECT 14 13 15 126 127 CONECT 15 14 16 17 128 CONECT 16 15 129 130 CONECT 17 15 18 131 132 CONECT 18 17 19 133 134 CONECT 19 18 20 135 136 CONECT 20 19 21 137 138 CONECT 21 20 22 139 140 CONECT 22 21 23 141 142 CONECT 23 22 24 143 144 CONECT 24 23 25 26 145 CONECT 25 24 146 147 CONECT 26 24 27 148 149 CONECT 27 26 28 150 151 CONECT 28 27 29 152 153 CONECT 29 28 30 154 155 CONECT 30 29 31 156 157 CONECT 31 30 32 158 159 CONECT 32 31 33 160 161 CONECT 33 32 34 35 162 CONECT 34 33 163 164 CONECT 35 33 36 165 166 CONECT 36 35 37 167 168 CONECT 37 36 38 169 170 CONECT 38 37 39 171 172 CONECT 39 38 40 173 174 CONECT 40 39 41 175 176 CONECT 41 40 42 177 178 CONECT 42 41 43 44 179 CONECT 43 42 180 CONECT 44 42 45 181 182 CONECT 45 44 46 183 184 CONECT 46 45 47 185 CONECT 47 46 48 49 CONECT 48 47 CONECT 49 47 50 186 187 CONECT 50 49 51 52 188 CONECT 51 50 189 CONECT 52 50 53 190 191 CONECT 53 52 54 55 192 CONECT 54 53 193 CONECT 55 53 56 97 194 CONECT 56 55 57 195 CONECT 57 56 58 59 CONECT 58 57 CONECT 59 57 60 95 196 CONECT 60 59 61 197 CONECT 61 60 62 63 CONECT 62 61 CONECT 63 61 64 68 198 CONECT 64 63 65 199 200 CONECT 65 64 66 67 CONECT 66 65 201 202 CONECT 67 65 CONECT 68 63 69 203 CONECT 69 68 70 71 CONECT 70 69 CONECT 71 69 72 91 204 CONECT 72 71 73 205 CONECT 73 72 74 75 CONECT 74 73 CONECT 75 73 76 82 206 CONECT 76 75 77 207 208 CONECT 77 76 78 81 CONECT 78 77 79 209 CONECT 79 78 80 CONECT 80 79 81 210 CONECT 81 80 77 211 CONECT 82 75 83 212 CONECT 83 82 84 85 CONECT 84 83 CONECT 85 83 86 213 214 CONECT 86 85 87 88 215 CONECT 87 86 216 217 CONECT 88 86 89 90 CONECT 89 88 CONECT 90 88 218 CONECT 91 71 92 219 220 CONECT 92 91 93 94 CONECT 93 92 CONECT 94 92 95 221 CONECT 95 94 96 59 222 CONECT 96 95 223 224 225 CONECT 97 55 98 99 226 CONECT 98 97 227 228 229 CONECT 99 97 230 231 232 CONECT 100 1 CONECT 101 1 CONECT 102 1 CONECT 103 2 CONECT 104 2 CONECT 105 3 CONECT 106 3 CONECT 107 4 CONECT 108 4 CONECT 109 5 CONECT 110 5 CONECT 111 6 CONECT 112 7 CONECT 113 7 CONECT 114 8 CONECT 115 8 CONECT 116 9 CONECT 117 9 CONECT 118 10 CONECT 119 10 CONECT 120 11 CONECT 121 11 CONECT 122 12 CONECT 123 12 CONECT 124 13 CONECT 125 13 CONECT 126 14 CONECT 127 14 CONECT 128 15 CONECT 129 16 CONECT 130 16 CONECT 131 17 CONECT 132 17 CONECT 133 18 CONECT 134 18 CONECT 135 19 CONECT 136 19 CONECT 137 20 CONECT 138 20 CONECT 139 21 CONECT 140 21 CONECT 141 22 CONECT 142 22 CONECT 143 23 CONECT 144 23 CONECT 145 24 CONECT 146 25 CONECT 147 25 CONECT 148 26 CONECT 149 26 CONECT 150 27 CONECT 151 27 CONECT 152 28 CONECT 153 28 CONECT 154 29 CONECT 155 29 CONECT 156 30 CONECT 157 30 CONECT 158 31 CONECT 159 31 CONECT 160 32 CONECT 161 32 CONECT 162 33 CONECT 163 34 CONECT 164 34 CONECT 165 35 CONECT 166 35 CONECT 167 36 CONECT 168 36 CONECT 169 37 CONECT 170 37 CONECT 171 38 CONECT 172 38 CONECT 173 39 CONECT 174 39 CONECT 175 40 CONECT 176 40 CONECT 177 41 CONECT 178 41 CONECT 179 42 CONECT 180 43 CONECT 181 44 CONECT 182 44 CONECT 183 45 CONECT 184 45 CONECT 185 46 CONECT 186 49 CONECT 187 49 CONECT 188 50 CONECT 189 51 CONECT 190 52 CONECT 191 52 CONECT 192 53 CONECT 193 54 CONECT 194 55 CONECT 195 56 CONECT 196 59 CONECT 197 60 CONECT 198 63 CONECT 199 64 CONECT 200 64 CONECT 201 66 CONECT 202 66 CONECT 203 68 CONECT 204 71 CONECT 205 72 CONECT 206 75 CONECT 207 76 CONECT 208 76 CONECT 209 78 CONECT 210 80 CONECT 211 81 CONECT 212 82 CONECT 213 85 CONECT 214 85 CONECT 215 86 CONECT 216 87 CONECT 217 87 CONECT 218 90 CONECT 219 91 CONECT 220 91 CONECT 221 94 CONECT 222 95 CONECT 223 96 CONECT 224 96 CONECT 225 96 CONECT 226 97 CONECT 227 98 CONECT 228 98 CONECT 229 98 CONECT 230 99 CONECT 231 99 CONECT 232 99 MASTER 0 0 0 0 0 0 0 0 232 0 466 0 END SMILES for NP0017813 (Prezeamine)[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C(=O)N([H])[C@]([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@@]([H])(O[H])C([H])([H])[C@]([H])(O[H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(N([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])(N([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])(N([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])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]([H])(N([H])C(=O)C1([H])[H])C([H])([H])[H])C([H])([H])C(=O)N([H])[H])C([H])([H])C1=C([H])N=C([H])N1[H] INCHI for NP0017813 (Prezeamine)InChI=1S/C71H133N15O13/c1-5-6-19-28-49(72)29-20-11-7-12-21-30-50(73)31-22-13-8-14-23-32-51(74)33-24-15-9-16-25-34-52(75)35-26-17-10-18-27-36-54(87)37-38-79-62(91)41-55(88)40-60(89)65(47(2)3)85-70(97)66-48(4)81-64(93)44-59(68(95)83-58(43-61(77)90)69(96)86-66)84-67(94)57(39-53-45-78-46-80-53)82-63(92)42-56(76)71(98)99/h45-52,54-60,65-66,87-89H,5-44,72-76H2,1-4H3,(H2,77,90)(H,78,80)(H,79,91)(H,81,93)(H,82,92)(H,83,95)(H,84,94)(H,85,97)(H,86,96)(H,98,99)/t48-,49+,50+,51-,52-,54+,55-,56-,57-,58-,59-,60-,65-,66+/m0/s1 3D Structure for NP0017813 (Prezeamine) | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
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| Chemical Formula | C71H133N15O13 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1404.9370 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1404.02073 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (2S)-2-amino-3-[(1-{[(2S,3R,6S,9S)-6-(carbamoylmethyl)-3-{[(3S,4S,6S)-4,6-dihydroxy-2-methyl-7-{[(11S,19S,27R,35R)-11,19,27,35-tetraamino-3-hydroxytetracontyl]carbamoyl}heptan-3-yl]carbamoyl}-2-methyl-5,8,11-trioxo-1,4,7-triazacycloundecan-9-yl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl)carbamoyl]propanoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (2S)-2-amino-3-[(1-{[(2S,3R,6S,9S)-6-(carbamoylmethyl)-3-{[(3S,4S,6S)-4,6-dihydroxy-2-methyl-7-{[(11S,19S,27R,35R)-11,19,27,35-tetraamino-3-hydroxytetracontyl]carbamoyl}heptan-3-yl]carbamoyl}-2-methyl-5,8,11-trioxo-1,4,7-triazacycloundecan-9-yl]carbamoyl}-2-(3H-imidazol-4-yl)ethyl)carbamoyl]propanoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CCCCCC(N)CCCCCCCC(N)CCCCCCCC(N)CCCCCCCC(N)CCCCCCCC(O)CCNC(=O)CC(O)CC(O)C(NC(=O)C1NC(=O)C(CC(N)=O)NC(=O)C(CC(=O)NC1C)NC(=O)C(CC1=CN=CN1)NC(=O)CC(N)C(O)=O)C(C)C | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C71H133N15O13/c1-5-6-19-28-49(72)29-20-11-7-12-21-30-50(73)31-22-13-8-14-23-32-51(74)33-24-15-9-16-25-34-52(75)35-26-17-10-18-27-36-54(87)37-38-79-62(91)41-55(88)40-60(89)65(47(2)3)85-70(97)66-48(4)81-64(93)44-59(68(95)83-58(43-61(77)90)69(96)86-66)84-67(94)57(39-53-45-78-46-80-53)82-63(92)42-56(76)71(98)99/h45-52,54-60,65-66,87-89H,5-44,72-76H2,1-4H3,(H2,77,90)(H,78,80)(H,79,91)(H,81,93)(H,82,92)(H,83,95)(H,84,94)(H,85,97)(H,86,96)(H,98,99) | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | YSKPBPMQZLMBEW-UHFFFAOYSA-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 | NPA028623 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| 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 | 146684681 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
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