Showing NP-Card for Balticidin C (NP0012963)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-05 22:28:58 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:13:12 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0012963 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Balticidin C | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Balticidin C belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. Balticidin C is found in Anabaena cylindrica Bio33. Based on a literature review very few articles have been published on Balticidin C. | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0012963 (Balticidin C)
Mrv1652307012122013D
243246 0 0 0 0 999 V2000
-2.2136 -7.5603 1.1023 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1644 -6.4605 1.3768 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8262 -5.1931 1.0175 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5575 -5.0990 0.4033 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3783 -4.6677 -0.9490 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4447 -4.3025 -1.5389 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1082 -4.6330 -1.6794 C 0 0 2 0 0 0 0 0 0 0 0 0
0.0183 -3.6079 -2.6807 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2975 -3.1491 -3.0784 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2986 -3.7201 -2.5349 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4993 -2.0540 -4.0638 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9139 -1.7717 -4.2316 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6186 -0.8859 -3.4122 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9427 -0.3270 -2.4751 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0309 -0.4802 -3.4397 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4218 0.0367 -2.1104 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1305 -0.7098 -0.9200 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5394 -1.8064 -1.0796 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5234 -0.1851 0.4130 C 0 0 1 0 0 0 0 0 0 0 0 0
5.0300 -1.0621 1.4767 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0463 -0.6126 2.4070 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6712 0.5749 2.2619 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4476 -1.4101 3.4812 C 0 0 2 0 0 0 0 0 0 0 0 0
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1.3923 -2.0996 0.7975 C 0 0 1 0 0 0 0 0 0 0 0 0
1.3446 -0.6767 0.4341 C 0 0 1 0 0 0 0 0 0 0 0 0
0.6590 0.2428 1.3761 C 0 0 1 0 0 0 0 0 0 0 0 0
0.8253 1.6834 0.9068 C 0 0 1 0 0 0 0 0 0 0 0 0
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6.9734 0.1433 0.5386 C 0 0 1 0 0 0 0 0 0 0 0 0
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0.9569 7.3167 0.2907 C 0 0 1 0 0 0 0 0 0 0 0 0
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120241 1 0 0 0 0
121242 1 6 0 0 0
122243 1 0 0 0 0
M END
3D MOL for NP0012963 (Balticidin C)
RDKit 3D
243246 0 0 0 0 0 0 0 0999 V2000
-2.2136 -7.5603 1.1023 C 0 0 0 0 0 0 0 0 0 0 0 0
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120241 1 0
121242 1 6
122243 1 0
M END
3D SDF for NP0012963 (Balticidin C)
Mrv1652307012122013D
243246 0 0 0 0 999 V2000
-2.2136 -7.5603 1.1023 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1644 -6.4605 1.3768 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.1082 -4.6330 -1.6794 C 0 0 2 0 0 0 0 0 0 0 0 0
0.0183 -3.6079 -2.6807 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2975 -3.1491 -3.0784 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2986 -3.7201 -2.5349 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4993 -2.0540 -4.0638 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9139 -1.7717 -4.2316 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6186 -0.8859 -3.4122 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9427 -0.3270 -2.4751 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0309 -0.4802 -3.4397 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4218 0.0367 -2.1104 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1305 -0.7098 -0.9200 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.0463 -0.6126 2.4070 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.4476 -1.4101 3.4812 C 0 0 2 0 0 0 0 0 0 0 0 0
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0.6590 0.2428 1.3761 C 0 0 1 0 0 0 0 0 0 0 0 0
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6.9734 0.1433 0.5386 C 0 0 1 0 0 0 0 0 0 0 0 0
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7.4153 0.9905 -0.4708 O 0 0 0 0 0 0 0 0 0 0 0 0
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2.2116 6.7883 0.8601 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.5489 5.3012 0.5999 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9542 7.3883 -0.1238 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6389 6.3010 -2.5844 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5585 6.8442 -1.6983 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7681 5.5220 -0.8407 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9736 8.4162 0.2132 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1384 7.0009 1.0121 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3235 7.4424 2.9406 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7175 7.8634 1.9372 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5073 8.9919 -2.4561 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7691 6.4635 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1626 6.5044 -2.2426 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4477 6.6235 -2.7028 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3478 8.0410 -1.9802 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8859 8.0529 1.1467 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1354 8.5084 2.8377 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5839 9.2722 5.1573 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8461 9.4719 4.5996 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5575 7.1149 4.5302 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2254 11.1990 3.4703 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0450 11.5186 1.8599 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1663 11.8546 1.0595 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9529 11.5899 1.0521 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0272 10.0152 -0.0647 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8091 10.9940 -0.7320 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
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
9 11 1 0 0 0 0
11 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 2 0 0 0 0
17 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
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23 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 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
25 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
42 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
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
50 51 2 0 0 0 0
50 52 1 0 0 0 0
49 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
55 57 1 0 0 0 0
57 58 1 0 0 0 0
45 59 1 0 0 0 0
59 60 1 0 0 0 0
19 61 1 0 0 0 0
61 62 1 0 0 0 0
61 63 1 0 0 0 0
15 64 1 0 0 0 0
64 65 1 0 0 0 0
64 66 1 0 0 0 0
11 67 1 0 0 0 0
67 68 1 0 0 0 0
67 69 1 0 0 0 0
7 70 1 0 0 0 0
70 71 1 0 0 0 0
70 72 1 0 0 0 0
72 73 2 0 0 0 0
73 74 1 0 0 0 0
74 75 2 0 0 0 0
75 76 1 0 0 0 0
75 77 1 0 0 0 0
77 78 2 0 0 0 0
3 79 1 0 0 0 0
79 80 2 0 0 0 0
79 81 1 0 0 0 0
81 82 1 0 0 0 0
82 83 1 0 0 0 0
83 84 1 0 0 0 0
84 85 1 0 0 0 0
85 86 1 0 0 0 0
85 87 2 0 0 0 0
82 88 1 0 0 0 0
88 89 2 0 0 0 0
88 90 1 0 0 0 0
90 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
94 96 1 0 0 0 0
96 97 1 0 0 0 0
97 98 2 0 0 0 0
97 99 1 0 0 0 0
99100 1 0 0 0 0
100101 1 0 0 0 0
101102 1 0 0 0 0
102103 1 0 0 0 0
103104 1 0 0 0 0
103105 2 0 0 0 0
100106 1 0 0 0 0
106107 2 0 0 0 0
106108 1 0 0 0 0
96109 1 0 0 0 0
109110 1 0 0 0 0
109111 1 0 0 0 0
111112 1 0 0 0 0
112113 1 0 0 0 0
113114 1 0 0 0 0
114115 1 0 0 0 0
115116 1 0 0 0 0
114117 1 0 0 0 0
117118 1 0 0 0 0
117119 1 0 0 0 0
119120 1 0 0 0 0
119121 1 0 0 0 0
121122 1 0 0 0 0
59 40 1 0 0 0 0
78 72 1 0 0 0 0
121112 1 0 0 0 0
57 47 1 0 0 0 0
1123 1 0 0 0 0
1124 1 0 0 0 0
1125 1 0 0 0 0
2126 1 0 0 0 0
4127 1 0 0 0 0
7128 1 1 0 0 0
8129 1 0 0 0 0
11130 1 1 0 0 0
12131 1 0 0 0 0
15132 1 6 0 0 0
16133 1 0 0 0 0
19134 1 1 0 0 0
20135 1 0 0 0 0
23136 1 1 0 0 0
24137 1 0 0 0 0
25138 1 6 0 0 0
26139 1 0 0 0 0
26140 1 0 0 0 0
27141 1 0 0 0 0
27142 1 0 0 0 0
28143 1 0 0 0 0
28144 1 0 0 0 0
29145 1 0 0 0 0
29146 1 0 0 0 0
30147 1 0 0 0 0
30148 1 0 0 0 0
31149 1 0 0 0 0
31150 1 0 0 0 0
32151 1 0 0 0 0
32152 1 0 0 0 0
33153 1 0 0 0 0
33154 1 0 0 0 0
34155 1 0 0 0 0
34156 1 0 0 0 0
35157 1 0 0 0 0
35158 1 0 0 0 0
36159 1 0 0 0 0
36160 1 0 0 0 0
37161 1 0 0 0 0
37162 1 0 0 0 0
38163 1 0 0 0 0
38164 1 0 0 0 0
38165 1 0 0 0 0
40166 1 6 0 0 0
42167 1 0 0 0 0
42168 1 0 0 0 0
43169 1 1 0 0 0
44170 1 0 0 0 0
45171 1 1 0 0 0
47172 1 1 0 0 0
49173 1 1 0 0 0
52174 1 0 0 0 0
53175 1 1 0 0 0
54176 1 0 0 0 0
55177 1 1 0 0 0
56178 1 0 0 0 0
57179 1 1 0 0 0
58180 1 0 0 0 0
59181 1 6 0 0 0
60182 1 0 0 0 0
61183 1 1 0 0 0
62184 1 0 0 0 0
62185 1 0 0 0 0
62186 1 0 0 0 0
63187 1 0 0 0 0
64188 1 6 0 0 0
65189 1 0 0 0 0
65190 1 0 0 0 0
65191 1 0 0 0 0
66192 1 0 0 0 0
67193 1 1 0 0 0
68194 1 0 0 0 0
68195 1 0 0 0 0
68196 1 0 0 0 0
69197 1 0 0 0 0
70198 1 6 0 0 0
71199 1 0 0 0 0
73200 1 0 0 0 0
74201 1 0 0 0 0
76202 1 0 0 0 0
77203 1 0 0 0 0
78204 1 0 0 0 0
81205 1 0 0 0 0
82206 1 6 0 0 0
83207 1 0 0 0 0
83208 1 0 0 0 0
84209 1 0 0 0 0
84210 1 0 0 0 0
86211 1 0 0 0 0
86212 1 0 0 0 0
90213 1 0 0 0 0
91214 1 0 0 0 0
91215 1 0 0 0 0
95216 1 0 0 0 0
95217 1 0 0 0 0
95218 1 0 0 0 0
96219 1 1 0 0 0
99220 1 0 0 0 0
100221 1 6 0 0 0
101222 1 0 0 0 0
101223 1 0 0 0 0
102224 1 0 0 0 0
102225 1 0 0 0 0
104226 1 0 0 0 0
104227 1 0 0 0 0
108228 1 0 0 0 0
109229 1 1 0 0 0
110230 1 0 0 0 0
110231 1 0 0 0 0
110232 1 0 0 0 0
112233 1 1 0 0 0
114234 1 1 0 0 0
115235 1 0 0 0 0
115236 1 0 0 0 0
116237 1 0 0 0 0
117238 1 1 0 0 0
118239 1 0 0 0 0
119240 1 6 0 0 0
120241 1 0 0 0 0
121242 1 6 0 0 0
122243 1 0 0 0 0
M END
> <DATABASE_ID>
NP0012963
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N(C(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)C(\N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(O[H])[C@@]([H])(O[C@]1([H])OC([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[C@@]2([H])O[C@@]([H])(C(=O)O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@]1([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])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@]([H])(O[H])C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])[H])[C@]([H])(O[H])C([H])([H])[H])[C@@]([H])(O[H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])=C(/[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])[H])[C@@]([H])(O[C@@]1([H])O[C@@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C75H121N11O36/c1-8-10-11-12-13-14-15-16-17-18-19-20-42(119-73-60(104)61(41(92)31-117-73)121-75-59(103)56(100)57(101)62(122-75)72(115)116)54(98)70(112)84-49(34(5)90)66(108)82-47(32(3)88)65(107)83-48(33(4)89)67(109)85-50(52(96)36-21-23-37(91)24-22-36)68(110)79-38(9-2)64(106)80-39(25-27-44(76)93)63(105)78-29-46(95)86(7)51(69(111)81-40(71(113)114)26-28-45(77)94)35(6)118-74-58(102)55(99)53(97)43(30-87)120-74/h9,21-24,32-35,39-43,47-62,73-75,87-92,96-104H,8,10-20,25-31H2,1-7H3,(H2,76,93)(H2,77,94)(H,78,105)(H,79,110)(H,80,106)(H,81,111)(H,82,108)(H,83,107)(H,84,112)(H,85,109)(H,113,114)(H,115,116)/b38-9-/t32-,33+,34+,35-,39-,40+,41+,42-,43-,47-,48-,49-,50+,51+,52-,53-,54+,55+,56+,57-,58+,59-,60-,61+,62+,73-,74-,75-/m0/s1
> <INCHI_KEY>
CXWFWZQJPYLHFZ-GGBPWVLZSA-N
> <FORMULA>
C75H121N11O36
> <MOLECULAR_WEIGHT>
1752.834
> <EXACT_MASS>
1751.79756926
> <JCHEM_ACCEPTOR_COUNT>
36
> <JCHEM_ATOM_COUNT>
243
> <JCHEM_AVERAGE_POLARIZABILITY>
174.3293563649977
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
27
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(2R,3S,4R,5S,6S)-6-{[(2S,3S,4R,5R)-2-{[(1R)-1-{[(1S,2R)-1-{[(1S,2S)-1-{[(1S,2R)-1-{[(1R,2S)-1-{[(1Z)-1-{[(1S)-3-carbamoyl-1-[({[(1R,2S)-1-{[(1R)-3-carbamoyl-1-carboxypropyl]carbamoyl}-2-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl](methyl)carbamoyl}methyl)carbamoyl]propyl]carbamoyl}prop-1-en-1-yl]carbamoyl}-2-hydroxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-1-hydroxypentadecan-2-yl]oxy}-3,5-dihydroxyoxan-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
> <JCHEM_LOGP>
-9.29034985633333
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
4
> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2
> <JCHEM_PKA>
3.677185462301085
> <JCHEM_PKA_STRONGEST_ACIDIC>
3.01278296982117
> <JCHEM_PKA_STRONGEST_BASIC>
-5.959441690547426
> <JCHEM_POLAR_SURFACE_AREA>
772.7200000000004
> <JCHEM_REFRACTIVITY>
410.13660000000016
> <JCHEM_ROTATABLE_BOND_COUNT>
52
> <JCHEM_RULE_OF_FIVE>
0
> <JCHEM_TRADITIONAL_IUPAC>
(2R,3S,4R,5S,6S)-6-{[(2S,3S,4R,5R)-2-{[(1R)-1-{[(1S,2R)-1-{[(1S,2S)-1-{[(1S,2R)-1-{[(1R,2S)-1-{[(1Z)-1-{[(1S)-3-carbamoyl-1-[({[(1R,2S)-1-{[(1R)-3-carbamoyl-1-carboxypropyl]carbamoyl}-2-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl](methyl)carbamoyl}methyl)carbamoyl]propyl]carbamoyl}prop-1-en-1-yl]carbamoyl}-2-hydroxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-1-hydroxypentadecan-2-yl]oxy}-3,5-dihydroxyoxan-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0012963 (Balticidin C)
RDKit 3D
243246 0 0 0 0 0 0 0 0999 V2000
-2.2136 -7.5603 1.1023 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1644 -6.4605 1.3768 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8262 -5.1931 1.0175 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5575 -5.0990 0.4033 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3783 -4.6677 -0.9490 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4447 -4.3025 -1.5389 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1082 -4.6330 -1.6794 C 0 0 2 0 0 0 0 0 0 0 0 0
0.0183 -3.6079 -2.6807 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2975 -3.1491 -3.0784 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2986 -3.7201 -2.5349 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4993 -2.0540 -4.0638 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9139 -1.7717 -4.2316 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6186 -0.8859 -3.4122 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9427 -0.3270 -2.4751 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0309 -0.4802 -3.4397 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4218 0.0367 -2.1104 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1305 -0.7098 -0.9200 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5394 -1.8064 -1.0796 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5234 -0.1851 0.4130 C 0 0 1 0 0 0 0 0 0 0 0 0
5.0300 -1.0621 1.4767 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0463 -0.6126 2.4070 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6712 0.5749 2.2619 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4476 -1.4101 3.4812 C 0 0 2 0 0 0 0 0 0 0 0 0
4.3962 -1.8653 4.4460 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7425 -2.6564 3.0426 C 0 0 2 0 0 0 0 0 0 0 0 0
2.2873 -2.7259 1.7041 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3923 -2.0996 0.7975 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3446 -0.6767 0.4341 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6590 0.2428 1.3761 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8253 1.6834 0.9068 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5505 1.9284 -0.5124 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7849 1.6117 -1.0658 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6434 1.9539 -2.5597 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9006 1.6793 -3.3008 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6013 2.0715 -4.7709 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8112 1.8413 -5.5987 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5808 2.2701 -7.0205 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4773 1.4743 -7.6412 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9873 -3.1574 4.0923 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4232 -4.3312 4.6175 C 0 0 2 0 0 0 0 0 0 0 0 0
1.4844 -5.3029 4.3469 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0484 -6.1202 5.3200 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0721 -6.7542 6.2198 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3584 -8.0115 5.7932 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2815 -5.8346 6.3087 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3184 -6.2125 5.5372 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4902 -6.6601 6.0479 C 0 0 1 0 0 0 0 0 0 0 0 0
5.9734 -7.8386 5.6109 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6397 -7.9688 4.4458 C 0 0 1 0 0 0 0 0 0 0 0 0
5.7209 -7.9600 3.2877 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1558 -8.0888 2.0926 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3638 -7.8166 3.4310 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6897 -6.8964 4.1718 C 0 0 1 0 0 0 0 0 0 0 0 0
8.1353 -6.9405 2.8590 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9793 -5.5536 4.3827 C 0 0 1 0 0 0 0 0 0 0 0 0
5.8732 -5.4246 3.5560 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5270 -5.5758 5.8098 C 0 0 2 0 0 0 0 0 0 0 0 0
7.6266 -5.7272 6.6655 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8032 -4.3845 6.0554 C 0 0 2 0 0 0 0 0 0 0 0 0
1.6622 -4.1274 6.8160 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9734 0.1433 0.5386 C 0 0 1 0 0 0 0 0 0 0 0 0
7.8616 -1.0709 0.5355 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4153 0.9905 -0.4708 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9224 -1.5810 -3.8843 C 0 0 2 0 0 0 0 0 0 0 0 0
5.8367 -1.8950 -5.3383 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8731 -2.7407 -3.1236 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8323 -2.3447 -5.3494 C 0 0 1 0 0 0 0 0 0 0 0 0
0.7489 -1.1718 -6.2990 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4054 -3.4724 -5.9963 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1446 -6.0303 -2.3235 C 0 0 1 0 0 0 0 0 0 0 0 0
0.0768 -7.0010 -1.3100 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7804 -6.3293 -3.4105 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0559 -6.8106 -3.1382 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9342 -7.1358 -4.1216 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5729 -6.9956 -5.4417 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4511 -7.3201 -6.4515 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2924 -6.5101 -5.7285 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4212 -6.1878 -4.7330 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8006 -4.1760 1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9351 -4.5617 1.6864 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6787 -2.7897 0.9988 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.6868 -1.8220 1.1665 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.0103 -1.3004 2.4998 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5013 -2.2662 3.5359 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9254 -1.4276 4.7118 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8756 -1.8792 5.6571 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.4370 -0.2874 4.8819 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6844 -0.7382 0.1362 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6828 -1.0716 -1.0662 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6691 0.6375 0.4727 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.6926 1.6478 -0.5623 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4392 2.9998 0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2053 3.1936 1.2156 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4449 4.1496 -0.8870 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.9210 3.9224 -2.2349 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8933 5.4245 -0.4393 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.6339 5.6988 -1.2182 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3051 4.9687 -2.1928 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7630 6.7672 -0.9128 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5602 7.0184 -1.7033 C 0 0 2 0 0 0 0 0 0 0 0 0
0.6972 6.6145 -1.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9569 7.3167 0.2907 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2116 6.7883 0.8601 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
PDB for NP0012963 (Balticidin C)HEADER PROTEIN 01-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-JUL-21 0 HETATM 1 C UNK 0 -2.214 -7.560 1.102 0.00 0.00 C+0 HETATM 2 C UNK 0 -3.164 -6.460 1.377 0.00 0.00 C+0 HETATM 3 C UNK 0 -2.826 -5.193 1.018 0.00 0.00 C+0 HETATM 4 N UNK 0 -1.558 -5.099 0.403 0.00 0.00 N+0 HETATM 5 C UNK 0 -1.378 -4.668 -0.949 0.00 0.00 C+0 HETATM 6 O UNK 0 -2.445 -4.303 -1.539 0.00 0.00 O+0 HETATM 7 C UNK 0 -0.108 -4.633 -1.679 0.00 0.00 C+0 HETATM 8 N UNK 0 0.018 -3.608 -2.681 0.00 0.00 N+0 HETATM 9 C UNK 0 1.298 -3.149 -3.078 0.00 0.00 C+0 HETATM 10 O UNK 0 2.299 -3.720 -2.535 0.00 0.00 O+0 HETATM 11 C UNK 0 1.499 -2.054 -4.064 0.00 0.00 C+0 HETATM 12 N UNK 0 2.914 -1.772 -4.232 0.00 0.00 N+0 HETATM 13 C UNK 0 3.619 -0.886 -3.412 0.00 0.00 C+0 HETATM 14 O UNK 0 2.943 -0.327 -2.475 0.00 0.00 O+0 HETATM 15 C UNK 0 5.031 -0.480 -3.440 0.00 0.00 C+0 HETATM 16 N UNK 0 5.422 0.037 -2.110 0.00 0.00 N+0 HETATM 17 C UNK 0 5.130 -0.710 -0.920 0.00 0.00 C+0 HETATM 18 O UNK 0 4.539 -1.806 -1.080 0.00 0.00 O+0 HETATM 19 C UNK 0 5.523 -0.185 0.413 0.00 0.00 C+0 HETATM 20 N UNK 0 5.030 -1.062 1.477 0.00 0.00 N+0 HETATM 21 C UNK 0 4.046 -0.613 2.407 0.00 0.00 C+0 HETATM 22 O UNK 0 3.671 0.575 2.262 0.00 0.00 O+0 HETATM 23 C UNK 0 3.448 -1.410 3.481 0.00 0.00 C+0 HETATM 24 O UNK 0 4.396 -1.865 4.446 0.00 0.00 O+0 HETATM 25 C UNK 0 2.743 -2.656 3.043 0.00 0.00 C+0 HETATM 26 C UNK 0 2.287 -2.726 1.704 0.00 0.00 C+0 HETATM 27 C UNK 0 1.392 -2.100 0.798 0.00 0.00 C+0 HETATM 28 C UNK 0 1.345 -0.677 0.434 0.00 0.00 C+0 HETATM 29 C UNK 0 0.659 0.243 1.376 0.00 0.00 C+0 HETATM 30 C UNK 0 0.825 1.683 0.907 0.00 0.00 C+0 HETATM 31 C UNK 0 0.551 1.928 -0.512 0.00 0.00 C+0 HETATM 32 C UNK 0 -0.785 1.612 -1.066 0.00 0.00 C+0 HETATM 33 C UNK 0 -0.643 1.954 -2.560 0.00 0.00 C+0 HETATM 34 C UNK 0 -1.901 1.679 -3.301 0.00 0.00 C+0 HETATM 35 C UNK 0 -1.601 2.071 -4.771 0.00 0.00 C+0 HETATM 36 C UNK 0 -2.811 1.841 -5.599 0.00 0.00 C+0 HETATM 37 C UNK 0 -2.581 2.270 -7.021 0.00 0.00 C+0 HETATM 38 C UNK 0 -1.477 1.474 -7.641 0.00 0.00 C+0 HETATM 39 O UNK 0 1.987 -3.157 4.092 0.00 0.00 O+0 HETATM 40 C UNK 0 2.423 -4.331 4.617 0.00 0.00 C+0 HETATM 41 O UNK 0 1.484 -5.303 4.347 0.00 0.00 O+0 HETATM 42 C UNK 0 1.048 -6.120 5.320 0.00 0.00 C+0 HETATM 43 C UNK 0 2.072 -6.754 6.220 0.00 0.00 C+0 HETATM 44 O UNK 0 2.358 -8.011 5.793 0.00 0.00 O+0 HETATM 45 C UNK 0 3.281 -5.835 6.309 0.00 0.00 C+0 HETATM 46 O UNK 0 4.318 -6.213 5.537 0.00 0.00 O+0 HETATM 47 C UNK 0 5.490 -6.660 6.048 0.00 0.00 C+0 HETATM 48 O UNK 0 5.973 -7.839 5.611 0.00 0.00 O+0 HETATM 49 C UNK 0 6.640 -7.969 4.446 0.00 0.00 C+0 HETATM 50 C UNK 0 5.721 -7.960 3.288 0.00 0.00 C+0 HETATM 51 O UNK 0 6.156 -8.089 2.093 0.00 0.00 O+0 HETATM 52 O UNK 0 4.364 -7.817 3.431 0.00 0.00 O+0 HETATM 53 C UNK 0 7.690 -6.896 4.172 0.00 0.00 C+0 HETATM 54 O UNK 0 8.135 -6.941 2.859 0.00 0.00 O+0 HETATM 55 C UNK 0 6.979 -5.554 4.383 0.00 0.00 C+0 HETATM 56 O UNK 0 5.873 -5.425 3.556 0.00 0.00 O+0 HETATM 57 C UNK 0 6.527 -5.576 5.810 0.00 0.00 C+0 HETATM 58 O UNK 0 7.627 -5.727 6.665 0.00 0.00 O+0 HETATM 59 C UNK 0 2.803 -4.385 6.055 0.00 0.00 C+0 HETATM 60 O UNK 0 1.662 -4.127 6.816 0.00 0.00 O+0 HETATM 61 C UNK 0 6.973 0.143 0.539 0.00 0.00 C+0 HETATM 62 C UNK 0 7.862 -1.071 0.536 0.00 0.00 C+0 HETATM 63 O UNK 0 7.415 0.991 -0.471 0.00 0.00 O+0 HETATM 64 C UNK 0 5.922 -1.581 -3.884 0.00 0.00 C+0 HETATM 65 C UNK 0 5.837 -1.895 -5.338 0.00 0.00 C+0 HETATM 66 O UNK 0 5.873 -2.741 -3.124 0.00 0.00 O+0 HETATM 67 C UNK 0 0.832 -2.345 -5.349 0.00 0.00 C+0 HETATM 68 C UNK 0 0.749 -1.172 -6.299 0.00 0.00 C+0 HETATM 69 O UNK 0 1.405 -3.472 -5.996 0.00 0.00 O+0 HETATM 70 C UNK 0 0.145 -6.030 -2.324 0.00 0.00 C+0 HETATM 71 O UNK 0 0.077 -7.001 -1.310 0.00 0.00 O+0 HETATM 72 C UNK 0 -0.780 -6.329 -3.410 0.00 0.00 C+0 HETATM 73 C UNK 0 -2.056 -6.811 -3.138 0.00 0.00 C+0 HETATM 74 C UNK 0 -2.934 -7.136 -4.122 0.00 0.00 C+0 HETATM 75 C UNK 0 -2.573 -6.996 -5.442 0.00 0.00 C+0 HETATM 76 O UNK 0 -3.451 -7.320 -6.452 0.00 0.00 O+0 HETATM 77 C UNK 0 -1.292 -6.510 -5.729 0.00 0.00 C+0 HETATM 78 C UNK 0 -0.421 -6.188 -4.733 0.00 0.00 C+0 HETATM 79 C UNK 0 -3.801 -4.176 1.228 0.00 0.00 C+0 HETATM 80 O UNK 0 -4.935 -4.562 1.686 0.00 0.00 O+0 HETATM 81 N UNK 0 -3.679 -2.790 0.999 0.00 0.00 N+0 HETATM 82 C UNK 0 -4.687 -1.822 1.167 0.00 0.00 C+0 HETATM 83 C UNK 0 -5.010 -1.300 2.500 0.00 0.00 C+0 HETATM 84 C UNK 0 -5.501 -2.266 3.536 0.00 0.00 C+0 HETATM 85 C UNK 0 -5.925 -1.428 4.712 0.00 0.00 C+0 HETATM 86 N UNK 0 -6.876 -1.879 5.657 0.00 0.00 N+0 HETATM 87 O UNK 0 -5.437 -0.287 4.882 0.00 0.00 O+0 HETATM 88 C UNK 0 -4.684 -0.738 0.136 0.00 0.00 C+0 HETATM 89 O UNK 0 -4.683 -1.072 -1.066 0.00 0.00 O+0 HETATM 90 N UNK 0 -4.669 0.638 0.473 0.00 0.00 N+0 HETATM 91 C UNK 0 -4.693 1.648 -0.562 0.00 0.00 C+0 HETATM 92 C UNK 0 -4.439 3.000 0.004 0.00 0.00 C+0 HETATM 93 O UNK 0 -4.205 3.194 1.216 0.00 0.00 O+0 HETATM 94 N UNK 0 -4.445 4.150 -0.887 0.00 0.00 N+0 HETATM 95 C UNK 0 -4.921 3.922 -2.235 0.00 0.00 C+0 HETATM 96 C UNK 0 -3.893 5.425 -0.439 0.00 0.00 C+0 HETATM 97 C UNK 0 -2.634 5.699 -1.218 0.00 0.00 C+0 HETATM 98 O UNK 0 -2.305 4.969 -2.193 0.00 0.00 O+0 HETATM 99 N UNK 0 -1.763 6.767 -0.913 0.00 0.00 N+0 HETATM 100 C UNK 0 -0.560 7.018 -1.703 0.00 0.00 C+0 HETATM 101 C UNK 0 0.697 6.614 -1.000 0.00 0.00 C+0 HETATM 102 C UNK 0 0.957 7.317 0.291 0.00 0.00 C+0 HETATM 103 C UNK 0 2.212 6.788 0.860 0.00 0.00 C+0 HETATM 104 N UNK 0 2.781 7.408 2.006 0.00 0.00 N+0 HETATM 105 O UNK 0 2.798 5.799 0.360 0.00 0.00 O+0 HETATM 106 C UNK 0 -0.464 8.399 -2.196 0.00 0.00 C+0 HETATM 107 O UNK 0 -1.291 9.304 -2.010 0.00 0.00 O+0 HETATM 108 O UNK 0 0.669 8.725 -2.953 0.00 0.00 O+0 HETATM 109 C UNK 0 -4.826 6.580 -0.531 0.00 0.00 C+0 HETATM 110 C UNK 0 -5.199 6.917 -1.970 0.00 0.00 C+0 HETATM 111 O UNK 0 -4.174 7.704 -0.013 0.00 0.00 O+0 HETATM 112 C UNK 0 -4.881 8.406 0.920 0.00 0.00 C+0 HETATM 113 O UNK 0 -4.233 8.559 2.155 0.00 0.00 O+0 HETATM 114 C UNK 0 -5.219 9.101 3.022 0.00 0.00 C+0 HETATM 115 C UNK 0 -4.807 8.910 4.449 0.00 0.00 C+0 HETATM 116 O UNK 0 -4.666 7.539 4.711 0.00 0.00 O+0 HETATM 117 C UNK 0 -5.514 10.530 2.674 0.00 0.00 C+0 HETATM 118 O UNK 0 -6.883 10.720 2.409 0.00 0.00 O+0 HETATM 119 C UNK 0 -4.750 10.875 1.409 0.00 0.00 C+0 HETATM 120 O UNK 0 -3.398 10.974 1.696 0.00 0.00 O+0 HETATM 121 C UNK 0 -5.015 9.831 0.357 0.00 0.00 C+0 HETATM 122 O UNK 0 -4.075 10.036 -0.667 0.00 0.00 O+0 HETATM 123 H UNK 0 -1.207 -7.189 1.396 0.00 0.00 H+0 HETATM 124 H UNK 0 -2.424 -8.430 1.728 0.00 0.00 H+0 HETATM 125 H UNK 0 -2.322 -7.850 0.061 0.00 0.00 H+0 HETATM 126 H UNK 0 -4.104 -6.691 1.855 0.00 0.00 H+0 HETATM 127 H UNK 0 -0.668 -5.325 0.906 0.00 0.00 H+0 HETATM 128 H UNK 0 0.740 -4.591 -0.946 0.00 0.00 H+0 HETATM 129 H UNK 0 -0.821 -3.207 -3.113 0.00 0.00 H+0 HETATM 130 H UNK 0 0.974 -1.173 -3.572 0.00 0.00 H+0 HETATM 131 H UNK 0 3.405 -2.269 -5.001 0.00 0.00 H+0 HETATM 132 H UNK 0 5.161 0.387 -4.159 0.00 0.00 H+0 HETATM 133 H UNK 0 5.899 0.952 -2.109 0.00 0.00 H+0 HETATM 134 H UNK 0 4.954 0.773 0.524 0.00 0.00 H+0 HETATM 135 H UNK 0 5.390 -2.026 1.581 0.00 0.00 H+0 HETATM 136 H UNK 0 2.790 -0.760 4.116 0.00 0.00 H+0 HETATM 137 H UNK 0 4.934 -1.077 4.746 0.00 0.00 H+0 HETATM 138 H UNK 0 3.694 -3.412 3.016 0.00 0.00 H+0 HETATM 139 H UNK 0 3.274 -2.876 1.054 0.00 0.00 H+0 HETATM 140 H UNK 0 1.977 -3.900 1.588 0.00 0.00 H+0 HETATM 141 H UNK 0 1.549 -2.642 -0.227 0.00 0.00 H+0 HETATM 142 H UNK 0 0.286 -2.420 0.951 0.00 0.00 H+0 HETATM 143 H UNK 0 2.366 -0.302 0.130 0.00 0.00 H+0 HETATM 144 H UNK 0 0.783 -0.524 -0.568 0.00 0.00 H+0 HETATM 145 H UNK 0 -0.443 0.040 1.386 0.00 0.00 H+0 HETATM 146 H UNK 0 1.011 0.150 2.406 0.00 0.00 H+0 HETATM 147 H UNK 0 0.010 2.223 1.488 0.00 0.00 H+0 HETATM 148 H UNK 0 1.747 2.164 1.245 0.00 0.00 H+0 HETATM 149 H UNK 0 0.660 3.063 -0.654 0.00 0.00 H+0 HETATM 150 H UNK 0 1.378 1.547 -1.188 0.00 0.00 H+0 HETATM 151 H UNK 0 -1.566 2.347 -0.706 0.00 0.00 H+0 HETATM 152 H UNK 0 -1.203 0.639 -0.892 0.00 0.00 H+0 HETATM 153 H UNK 0 -0.370 3.017 -2.607 0.00 0.00 H+0 HETATM 154 H UNK 0 0.215 1.393 -2.994 0.00 0.00 H+0 HETATM 155 H UNK 0 -2.258 0.661 -3.205 0.00 0.00 H+0 HETATM 156 H UNK 0 -2.667 2.394 -2.979 0.00 0.00 H+0 HETATM 157 H UNK 0 -0.707 1.509 -5.018 0.00 0.00 H+0 HETATM 158 H UNK 0 -1.305 3.148 -4.716 0.00 0.00 H+0 HETATM 159 H UNK 0 -3.704 2.370 -5.189 0.00 0.00 H+0 HETATM 160 H UNK 0 -3.068 0.752 -5.550 0.00 0.00 H+0 HETATM 161 H UNK 0 -3.517 2.255 -7.629 0.00 0.00 H+0 HETATM 162 H UNK 0 -2.232 3.348 -7.056 0.00 0.00 H+0 HETATM 163 H UNK 0 -1.215 1.933 -8.631 0.00 0.00 H+0 HETATM 164 H UNK 0 -1.829 0.427 -7.759 0.00 0.00 H+0 HETATM 165 H UNK 0 -0.611 1.471 -6.969 0.00 0.00 H+0 HETATM 166 H UNK 0 3.324 -4.625 4.027 0.00 0.00 H+0 HETATM 167 H UNK 0 0.512 -6.977 4.789 0.00 0.00 H+0 HETATM 168 H UNK 0 0.207 -5.655 5.903 0.00 0.00 H+0 HETATM 169 H UNK 0 1.628 -6.802 7.225 0.00 0.00 H+0 HETATM 170 H UNK 0 1.506 -8.457 5.506 0.00 0.00 H+0 HETATM 171 H UNK 0 3.584 -5.878 7.353 0.00 0.00 H+0 HETATM 172 H UNK 0 5.484 -6.715 7.181 0.00 0.00 H+0 HETATM 173 H UNK 0 7.155 -8.982 4.369 0.00 0.00 H+0 HETATM 174 H UNK 0 3.729 -7.656 2.652 0.00 0.00 H+0 HETATM 175 H UNK 0 8.500 -6.954 4.893 0.00 0.00 H+0 HETATM 176 H UNK 0 8.317 -6.043 2.540 0.00 0.00 H+0 HETATM 177 H UNK 0 7.700 -4.719 4.205 0.00 0.00 H+0 HETATM 178 H UNK 0 5.762 -4.529 3.178 0.00 0.00 H+0 HETATM 179 H UNK 0 6.090 -4.568 6.111 0.00 0.00 H+0 HETATM 180 H UNK 0 7.866 -6.680 6.786 0.00 0.00 H+0 HETATM 181 H UNK 0 3.563 -3.658 6.328 0.00 0.00 H+0 HETATM 182 H UNK 0 1.688 -3.197 7.123 0.00 0.00 H+0 HETATM 183 H UNK 0 7.121 0.711 1.496 0.00 0.00 H+0 HETATM 184 H UNK 0 8.386 -1.108 -0.433 0.00 0.00 H+0 HETATM 185 H UNK 0 7.243 -2.019 0.592 0.00 0.00 H+0 HETATM 186 H UNK 0 8.630 -1.035 1.336 0.00 0.00 H+0 HETATM 187 H UNK 0 7.196 1.929 -0.200 0.00 0.00 H+0 HETATM 188 H UNK 0 7.027 -1.227 -3.738 0.00 0.00 H+0 HETATM 189 H UNK 0 6.896 -1.877 -5.770 0.00 0.00 H+0 HETATM 190 H UNK 0 5.214 -1.180 -5.918 0.00 0.00 H+0 HETATM 191 H UNK 0 5.551 -2.965 -5.466 0.00 0.00 H+0 HETATM 192 H UNK 0 5.085 -3.279 -3.394 0.00 0.00 H+0 HETATM 193 H UNK 0 -0.242 -2.658 -5.166 0.00 0.00 H+0 HETATM 194 H UNK 0 1.196 -0.251 -5.864 0.00 0.00 H+0 HETATM 195 H UNK 0 1.336 -1.396 -7.245 0.00 0.00 H+0 HETATM 196 H UNK 0 -0.282 -0.999 -6.645 0.00 0.00 H+0 HETATM 197 H UNK 0 1.797 -3.149 -6.840 0.00 0.00 H+0 HETATM 198 H UNK 0 1.179 -6.008 -2.692 0.00 0.00 H+0 HETATM 199 H UNK 0 0.360 -7.835 -1.727 0.00 0.00 H+0 HETATM 200 H UNK 0 -2.394 -6.951 -2.121 0.00 0.00 H+0 HETATM 201 H UNK 0 -3.943 -7.511 -3.909 0.00 0.00 H+0 HETATM 202 H UNK 0 -4.076 -6.621 -6.807 0.00 0.00 H+0 HETATM 203 H UNK 0 -0.963 -6.381 -6.747 0.00 0.00 H+0 HETATM 204 H UNK 0 0.590 -5.824 -5.012 0.00 0.00 H+0 HETATM 205 H UNK 0 -2.708 -2.464 0.667 0.00 0.00 H+0 HETATM 206 H UNK 0 -5.707 -2.432 0.933 0.00 0.00 H+0 HETATM 207 H UNK 0 -4.073 -0.804 2.924 0.00 0.00 H+0 HETATM 208 H UNK 0 -5.733 -0.438 2.413 0.00 0.00 H+0 HETATM 209 H UNK 0 -6.250 -2.976 3.256 0.00 0.00 H+0 HETATM 210 H UNK 0 -4.599 -2.818 3.941 0.00 0.00 H+0 HETATM 211 H UNK 0 -6.669 -2.411 6.508 0.00 0.00 H+0 HETATM 212 H UNK 0 -7.899 -1.633 5.467 0.00 0.00 H+0 HETATM 213 H UNK 0 -4.635 0.921 1.459 0.00 0.00 H+0 HETATM 214 H UNK 0 -5.737 1.634 -0.986 0.00 0.00 H+0 HETATM 215 H UNK 0 -3.945 1.384 -1.342 0.00 0.00 H+0 HETATM 216 H UNK 0 -4.920 2.799 -2.441 0.00 0.00 H+0 HETATM 217 H UNK 0 -4.308 4.326 -3.025 0.00 0.00 H+0 HETATM 218 H UNK 0 -6.025 4.147 -2.295 0.00 0.00 H+0 HETATM 219 H UNK 0 -3.549 5.301 0.600 0.00 0.00 H+0 HETATM 220 H UNK 0 -1.954 7.388 -0.124 0.00 0.00 H+0 HETATM 221 H UNK 0 -0.639 6.301 -2.584 0.00 0.00 H+0 HETATM 222 H UNK 0 1.559 6.844 -1.698 0.00 0.00 H+0 HETATM 223 H UNK 0 0.768 5.522 -0.841 0.00 0.00 H+0 HETATM 224 H UNK 0 0.974 8.416 0.213 0.00 0.00 H+0 HETATM 225 H UNK 0 0.138 7.001 1.012 0.00 0.00 H+0 HETATM 226 H UNK 0 2.324 7.442 2.941 0.00 0.00 H+0 HETATM 227 H UNK 0 3.717 7.863 1.937 0.00 0.00 H+0 HETATM 228 H UNK 0 1.507 8.992 -2.456 0.00 0.00 H+0 HETATM 229 H UNK 0 -5.769 6.463 -0.000 0.00 0.00 H+0 HETATM 230 H UNK 0 -6.163 6.504 -2.243 0.00 0.00 H+0 HETATM 231 H UNK 0 -4.448 6.624 -2.703 0.00 0.00 H+0 HETATM 232 H UNK 0 -5.348 8.041 -1.980 0.00 0.00 H+0 HETATM 233 H UNK 0 -5.886 8.053 1.147 0.00 0.00 H+0 HETATM 234 H UNK 0 -6.135 8.508 2.838 0.00 0.00 H+0 HETATM 235 H UNK 0 -5.584 9.272 5.157 0.00 0.00 H+0 HETATM 236 H UNK 0 -3.846 9.472 4.600 0.00 0.00 H+0 HETATM 237 H UNK 0 -5.558 7.115 4.530 0.00 0.00 H+0 HETATM 238 H UNK 0 -5.225 11.199 3.470 0.00 0.00 H+0 HETATM 239 H UNK 0 -7.045 11.519 1.860 0.00 0.00 H+0 HETATM 240 H UNK 0 -5.166 11.855 1.060 0.00 0.00 H+0 HETATM 241 H UNK 0 -2.953 11.590 1.052 0.00 0.00 H+0 HETATM 242 H UNK 0 -6.027 10.015 -0.065 0.00 0.00 H+0 HETATM 243 H UNK 0 -3.809 10.994 -0.732 0.00 0.00 H+0 CONECT 1 2 123 124 125 CONECT 2 1 3 126 CONECT 3 2 4 79 CONECT 4 3 5 127 CONECT 5 4 6 7 CONECT 6 5 CONECT 7 5 8 70 128 CONECT 8 7 9 129 CONECT 9 8 10 11 CONECT 10 9 CONECT 11 9 12 67 130 CONECT 12 11 13 131 CONECT 13 12 14 15 CONECT 14 13 CONECT 15 13 16 64 132 CONECT 16 15 17 133 CONECT 17 16 18 19 CONECT 18 17 CONECT 19 17 20 61 134 CONECT 20 19 21 135 CONECT 21 20 22 23 CONECT 22 21 CONECT 23 21 24 25 136 CONECT 24 23 137 CONECT 25 23 26 39 138 CONECT 26 25 27 139 140 CONECT 27 26 28 141 142 CONECT 28 27 29 143 144 CONECT 29 28 30 145 146 CONECT 30 29 31 147 148 CONECT 31 30 32 149 150 CONECT 32 31 33 151 152 CONECT 33 32 34 153 154 CONECT 34 33 35 155 156 CONECT 35 34 36 157 158 CONECT 36 35 37 159 160 CONECT 37 36 38 161 162 CONECT 38 37 163 164 165 CONECT 39 25 40 CONECT 40 39 41 59 166 CONECT 41 40 42 CONECT 42 41 43 167 168 CONECT 43 42 44 45 169 CONECT 44 43 170 CONECT 45 43 46 59 171 CONECT 46 45 47 CONECT 47 46 48 57 172 CONECT 48 47 49 CONECT 49 48 50 53 173 CONECT 50 49 51 52 CONECT 51 50 CONECT 52 50 174 CONECT 53 49 54 55 175 CONECT 54 53 176 CONECT 55 53 56 57 177 CONECT 56 55 178 CONECT 57 55 58 47 179 CONECT 58 57 180 CONECT 59 45 60 40 181 CONECT 60 59 182 CONECT 61 19 62 63 183 CONECT 62 61 184 185 186 CONECT 63 61 187 CONECT 64 15 65 66 188 CONECT 65 64 189 190 191 CONECT 66 64 192 CONECT 67 11 68 69 193 CONECT 68 67 194 195 196 CONECT 69 67 197 CONECT 70 7 71 72 198 CONECT 71 70 199 CONECT 72 70 73 78 CONECT 73 72 74 200 CONECT 74 73 75 201 CONECT 75 74 76 77 CONECT 76 75 202 CONECT 77 75 78 203 CONECT 78 77 72 204 CONECT 79 3 80 81 CONECT 80 79 CONECT 81 79 82 205 CONECT 82 81 83 88 206 CONECT 83 82 84 207 208 CONECT 84 83 85 209 210 CONECT 85 84 86 87 CONECT 86 85 211 212 CONECT 87 85 CONECT 88 82 89 90 CONECT 89 88 CONECT 90 88 91 213 CONECT 91 90 92 214 215 CONECT 92 91 93 94 CONECT 93 92 CONECT 94 92 95 96 CONECT 95 94 216 217 218 CONECT 96 94 97 109 219 CONECT 97 96 98 99 CONECT 98 97 CONECT 99 97 100 220 CONECT 100 99 101 106 221 CONECT 101 100 102 222 223 CONECT 102 101 103 224 225 CONECT 103 102 104 105 CONECT 104 103 226 227 CONECT 105 103 CONECT 106 100 107 108 CONECT 107 106 CONECT 108 106 228 CONECT 109 96 110 111 229 CONECT 110 109 230 231 232 CONECT 111 109 112 CONECT 112 111 113 121 233 CONECT 113 112 114 CONECT 114 113 115 117 234 CONECT 115 114 116 235 236 CONECT 116 115 237 CONECT 117 114 118 119 238 CONECT 118 117 239 CONECT 119 117 120 121 240 CONECT 120 119 241 CONECT 121 119 122 112 242 CONECT 122 121 243 CONECT 123 1 CONECT 124 1 CONECT 125 1 CONECT 126 2 CONECT 127 4 CONECT 128 7 CONECT 129 8 CONECT 130 11 CONECT 131 12 CONECT 132 15 CONECT 133 16 CONECT 134 19 CONECT 135 20 CONECT 136 23 CONECT 137 24 CONECT 138 25 CONECT 139 26 CONECT 140 26 CONECT 141 27 CONECT 142 27 CONECT 143 28 CONECT 144 28 CONECT 145 29 CONECT 146 29 CONECT 147 30 CONECT 148 30 CONECT 149 31 CONECT 150 31 CONECT 151 32 CONECT 152 32 CONECT 153 33 CONECT 154 33 CONECT 155 34 CONECT 156 34 CONECT 157 35 CONECT 158 35 CONECT 159 36 CONECT 160 36 CONECT 161 37 CONECT 162 37 CONECT 163 38 CONECT 164 38 CONECT 165 38 CONECT 166 40 CONECT 167 42 CONECT 168 42 CONECT 169 43 CONECT 170 44 CONECT 171 45 CONECT 172 47 CONECT 173 49 CONECT 174 52 CONECT 175 53 CONECT 176 54 CONECT 177 55 CONECT 178 56 CONECT 179 57 CONECT 180 58 CONECT 181 59 CONECT 182 60 CONECT 183 61 CONECT 184 62 CONECT 185 62 CONECT 186 62 CONECT 187 63 CONECT 188 64 CONECT 189 65 CONECT 190 65 CONECT 191 65 CONECT 192 66 CONECT 193 67 CONECT 194 68 CONECT 195 68 CONECT 196 68 CONECT 197 69 CONECT 198 70 CONECT 199 71 CONECT 200 73 CONECT 201 74 CONECT 202 76 CONECT 203 77 CONECT 204 78 CONECT 205 81 CONECT 206 82 CONECT 207 83 CONECT 208 83 CONECT 209 84 CONECT 210 84 CONECT 211 86 CONECT 212 86 CONECT 213 90 CONECT 214 91 CONECT 215 91 CONECT 216 95 CONECT 217 95 CONECT 218 95 CONECT 219 96 CONECT 220 99 CONECT 221 100 CONECT 222 101 CONECT 223 101 CONECT 224 102 CONECT 225 102 CONECT 226 104 CONECT 227 104 CONECT 228 108 CONECT 229 109 CONECT 230 110 CONECT 231 110 CONECT 232 110 CONECT 233 112 CONECT 234 114 CONECT 235 115 CONECT 236 115 CONECT 237 116 CONECT 238 117 CONECT 239 118 CONECT 240 119 CONECT 241 120 CONECT 242 121 CONECT 243 122 MASTER 0 0 0 0 0 0 0 0 243 0 492 0 END SMILES for NP0012963 (Balticidin C)[H]OC(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N(C(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)C(\N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(O[H])[C@@]([H])(O[C@]1([H])OC([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[C@@]2([H])O[C@@]([H])(C(=O)O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@]1([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])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@]([H])(O[H])C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])[H])[C@]([H])(O[H])C([H])([H])[H])[C@@]([H])(O[H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])=C(/[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])[H])[C@@]([H])(O[C@@]1([H])O[C@@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H] INCHI for NP0012963 (Balticidin C)InChI=1S/C75H121N11O36/c1-8-10-11-12-13-14-15-16-17-18-19-20-42(119-73-60(104)61(41(92)31-117-73)121-75-59(103)56(100)57(101)62(122-75)72(115)116)54(98)70(112)84-49(34(5)90)66(108)82-47(32(3)88)65(107)83-48(33(4)89)67(109)85-50(52(96)36-21-23-37(91)24-22-36)68(110)79-38(9-2)64(106)80-39(25-27-44(76)93)63(105)78-29-46(95)86(7)51(69(111)81-40(71(113)114)26-28-45(77)94)35(6)118-74-58(102)55(99)53(97)43(30-87)120-74/h9,21-24,32-35,39-43,47-62,73-75,87-92,96-104H,8,10-20,25-31H2,1-7H3,(H2,76,93)(H2,77,94)(H,78,105)(H,79,110)(H,80,106)(H,81,111)(H,82,108)(H,83,107)(H,84,112)(H,85,109)(H,113,114)(H,115,116)/b38-9-/t32-,33+,34+,35-,39-,40+,41+,42-,43-,47-,48-,49-,50+,51+,52-,53-,54+,55+,56+,57-,58+,59-,60-,61+,62+,73-,74-,75-/m0/s1 3D Structure for NP0012963 (Balticidin C) | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
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| Chemical Formula | C75H121N11O36 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1752.8340 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1751.79757 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (2R,3S,4R,5S,6S)-6-{[(2S,3S,4R,5R)-2-{[(1R)-1-{[(1S,2R)-1-{[(1S,2S)-1-{[(1S,2R)-1-{[(1R,2S)-1-{[(1Z)-1-{[(1S)-3-carbamoyl-1-[({[(1R,2S)-1-{[(1R)-3-carbamoyl-1-carboxypropyl]carbamoyl}-2-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl](methyl)carbamoyl}methyl)carbamoyl]propyl]carbamoyl}prop-1-en-1-yl]carbamoyl}-2-hydroxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-1-hydroxypentadecan-2-yl]oxy}-3,5-dihydroxyoxan-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (2R,3S,4R,5S,6S)-6-{[(2S,3S,4R,5R)-2-{[(1R)-1-{[(1S,2R)-1-{[(1S,2S)-1-{[(1S,2R)-1-{[(1R,2S)-1-{[(1Z)-1-{[(1S)-3-carbamoyl-1-[({[(1R,2S)-1-{[(1R)-3-carbamoyl-1-carboxypropyl]carbamoyl}-2-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl](methyl)carbamoyl}methyl)carbamoyl]propyl]carbamoyl}prop-1-en-1-yl]carbamoyl}-2-hydroxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-1-hydroxypentadecan-2-yl]oxy}-3,5-dihydroxyoxan-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CCCCCCCCCCCCCC(O[C@@H]1OC[C@@H](O)[C@@H](O[C@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C(O)=O)[C@@H]1O)C(O)C(=O)NC(C(C)O)C(=O)NC(C(C)O)C(=O)NC(C(C)O)C(=O)NC(C(O)C1=CC=C(O)C=C1)C(=O)N\C(=C/C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N(C)C(C(C)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@H](CCC(N)=O)C(O)=O | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C75H121N11O36/c1-8-10-11-12-13-14-15-16-17-18-19-20-42(119-73-60(104)61(41(92)31-117-73)121-75-59(103)56(100)57(101)62(122-75)72(115)116)54(98)70(112)84-49(34(5)90)66(108)82-47(32(3)88)65(107)83-48(33(4)89)67(109)85-50(52(96)36-21-23-37(91)24-22-36)68(110)79-38(9-2)64(106)80-39(25-27-44(76)93)63(105)78-29-46(95)86(7)51(69(111)81-40(71(113)114)26-28-45(77)94)35(6)118-74-58(102)55(99)53(97)43(30-87)120-74/h9,21-24,32-35,39-43,47-62,73-75,87-92,96-104H,8,10-20,25-31H2,1-7H3,(H2,76,93)(H2,77,94)(H,78,105)(H,79,110)(H,80,106)(H,81,111)(H,82,108)(H,83,107)(H,84,112)(H,85,109)(H,113,114)(H,115,116)/b38-9-/t32?,33?,34?,35?,39-,40+,41+,42?,43-,47?,48?,49?,50?,51?,52?,53-,54?,55+,56+,57-,58+,59-,60-,61+,62+,73-,74-,75-/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | CXWFWZQJPYLHFZ-GGBPWVLZSA-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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Kingdom | Organic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Super Class | Organic acids and derivatives | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Class | Carboxylic acids and derivatives | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Sub Class | Amino acids, peptides, and analogues | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Direct Parent | Peptides | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Alternative Parents |
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| Substituents |
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| Molecular Framework | Aromatic heteromonocyclic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||
| External Descriptors | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
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| Predicted Properties |
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| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA027345 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| 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 | 146683689 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | ||||||||||||||||||||||||||||||||||||||||||||||||||||
