Showing NP-Card for Fattiviracin FV-10 (NP0003619)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2020-12-09 00:49:04 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 16:46:55 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0003619 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Fattiviracin FV-10 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Fattiviracin FV-10 is found in Streptomyces microflavus and Streptomyces microflavus No.2445. Based on a literature review very few articles have been published on 9,10,11,20,21,22-hexahydroxy-3-(20-hydroxy-12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}henicosyl)-14-(22-hydroxy-14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricosyl)-2,6,13,17,23,24-hexaoxatricyclo[17.3.1.1⁸,¹²]Tetracosane-5,16-dione. | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0003619 (Fattiviracin FV-10)
Mrv1652307012117103D
238242 0 0 0 0 999 V2000
6.7083 -4.4858 8.6473 C 0 0 0 0 0 0 0 0 0 0 0 0
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102238 1 0 0 0 0
M END
3D MOL for NP0003619 (Fattiviracin FV-10)
RDKit 3D
238242 0 0 0 0 0 0 0 0999 V2000
6.7083 -4.4858 8.6473 C 0 0 0 0 0 0 0 0 0 0 0 0
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102238 1 0
M END
3D SDF for NP0003619 (Fattiviracin FV-10)
Mrv1652307012117103D
238242 0 0 0 0 999 V2000
6.7083 -4.4858 8.6473 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.4079 -1.2668 9.4194 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7953 -1.6148 9.8164 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0315 -2.3483 8.2331 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9551 -4.1242 8.8256 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2966 -0.1037 7.2779 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9932 0.9250 8.9842 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7437 1.5821 6.9953 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0530 2.2435 8.8577 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8961 0.4299 5.9637 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7594 -0.0892 8.5321 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
2 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
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17 18 1 0 0 0 0
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19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 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 1 0 0 0 0
27 28 2 0 0 0 0
27 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
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38 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
44 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 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
54 55 1 0 0 0 0
55 56 1 0 0 0 0
55 57 1 0 0 0 0
47 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
61 62 1 0 0 0 0
62 63 1 0 0 0 0
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64 65 1 0 0 0 0
64 66 1 0 0 0 0
66 67 1 0 0 0 0
66 68 1 0 0 0 0
68 69 1 0 0 0 0
35 70 1 0 0 0 0
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71 72 2 0 0 0 0
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75 76 1 0 0 0 0
76 77 1 0 0 0 0
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79 80 1 0 0 0 0
79 81 1 0 0 0 0
81 82 1 0 0 0 0
81 83 1 0 0 0 0
83 84 1 0 0 0 0
33 85 1 0 0 0 0
85 86 1 0 0 0 0
85 87 1 0 0 0 0
87 88 1 0 0 0 0
87 89 1 0 0 0 0
89 90 1 0 0 0 0
11 91 1 0 0 0 0
91 92 1 0 0 0 0
92 93 1 0 0 0 0
93 94 1 0 0 0 0
94 95 1 0 0 0 0
95 96 1 0 0 0 0
94 97 1 0 0 0 0
97 98 1 0 0 0 0
97 99 1 0 0 0 0
99100 1 0 0 0 0
99101 1 0 0 0 0
101102 1 0 0 0 0
78 25 1 0 0 0 0
101 92 1 0 0 0 0
89 31 1 0 0 0 0
68 59 1 0 0 0 0
83 75 1 0 0 0 0
1103 1 0 0 0 0
1104 1 0 0 0 0
1105 1 0 0 0 0
2106 1 6 0 0 0
3107 1 0 0 0 0
4108 1 0 0 0 0
4109 1 0 0 0 0
5110 1 0 0 0 0
5111 1 0 0 0 0
6112 1 0 0 0 0
6113 1 0 0 0 0
7114 1 0 0 0 0
7115 1 0 0 0 0
8116 1 0 0 0 0
8117 1 0 0 0 0
9118 1 0 0 0 0
9119 1 0 0 0 0
10120 1 0 0 0 0
10121 1 0 0 0 0
11122 1 1 0 0 0
12123 1 0 0 0 0
12124 1 0 0 0 0
13125 1 0 0 0 0
13126 1 0 0 0 0
14127 1 0 0 0 0
14128 1 0 0 0 0
15129 1 0 0 0 0
15130 1 0 0 0 0
16131 1 0 0 0 0
16132 1 0 0 0 0
17133 1 0 0 0 0
17134 1 0 0 0 0
18135 1 0 0 0 0
18136 1 0 0 0 0
19137 1 0 0 0 0
19138 1 0 0 0 0
20139 1 0 0 0 0
20140 1 0 0 0 0
21141 1 0 0 0 0
21142 1 0 0 0 0
22143 1 0 0 0 0
22144 1 0 0 0 0
23145 1 0 0 0 0
23146 1 0 0 0 0
24147 1 0 0 0 0
24148 1 0 0 0 0
25149 1 1 0 0 0
26150 1 0 0 0 0
26151 1 0 0 0 0
30152 1 0 0 0 0
30153 1 0 0 0 0
31154 1 1 0 0 0
33155 1 1 0 0 0
35156 1 6 0 0 0
36157 1 0 0 0 0
36158 1 0 0 0 0
37159 1 0 0 0 0
37160 1 0 0 0 0
38161 1 0 0 0 0
38162 1 0 0 0 0
39163 1 0 0 0 0
39164 1 0 0 0 0
40165 1 0 0 0 0
40166 1 0 0 0 0
41167 1 0 0 0 0
41168 1 0 0 0 0
42169 1 0 0 0 0
42170 1 0 0 0 0
43171 1 0 0 0 0
43172 1 0 0 0 0
44173 1 0 0 0 0
44174 1 0 0 0 0
45175 1 0 0 0 0
45176 1 0 0 0 0
46177 1 0 0 0 0
46178 1 0 0 0 0
47179 1 1 0 0 0
48180 1 0 0 0 0
48181 1 0 0 0 0
49182 1 0 0 0 0
49183 1 0 0 0 0
50184 1 0 0 0 0
50185 1 0 0 0 0
51186 1 0 0 0 0
51187 1 0 0 0 0
52188 1 0 0 0 0
52189 1 0 0 0 0
53190 1 0 0 0 0
53191 1 0 0 0 0
54192 1 0 0 0 0
54193 1 0 0 0 0
55194 1 6 0 0 0
56195 1 0 0 0 0
56196 1 0 0 0 0
56197 1 0 0 0 0
57198 1 0 0 0 0
59199 1 1 0 0 0
61200 1 1 0 0 0
62201 1 0 0 0 0
62202 1 0 0 0 0
63203 1 0 0 0 0
64204 1 6 0 0 0
65205 1 0 0 0 0
66206 1 6 0 0 0
67207 1 0 0 0 0
68208 1 6 0 0 0
69209 1 0 0 0 0
70210 1 0 0 0 0
70211 1 0 0 0 0
74212 1 0 0 0 0
74213 1 0 0 0 0
75214 1 6 0 0 0
77215 1 6 0 0 0
79216 1 1 0 0 0
80217 1 0 0 0 0
81218 1 6 0 0 0
82219 1 0 0 0 0
83220 1 1 0 0 0
84221 1 0 0 0 0
85222 1 6 0 0 0
86223 1 0 0 0 0
87224 1 1 0 0 0
88225 1 0 0 0 0
89226 1 1 0 0 0
90227 1 0 0 0 0
92228 1 6 0 0 0
94229 1 1 0 0 0
95230 1 0 0 0 0
95231 1 0 0 0 0
96232 1 0 0 0 0
97233 1 6 0 0 0
98234 1 0 0 0 0
99235 1 6 0 0 0
100236 1 0 0 0 0
101237 1 6 0 0 0
102238 1 0 0 0 0
M END
> <DATABASE_ID>
NP0003619
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC([H])([H])[C@]1([H])O[C@]([H])(O[C@@]([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])[C@]2([H])O[C@]3([H])O[C@]([H])(C([H])([H])OC(=O)C([H])([H])[C@@]([H])(O[C@]4([H])O[C@]([H])(C([H])([H])OC(=O)C2([H])[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]4([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])(O[C@]2([H])O[C@@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@]2([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])(O[H])C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([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])(O[H])C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
> <INCHI_IDENTIFIER>
InChI=1S/C74H136O28/c1-47(77)33-25-17-15-23-29-37-49(95-71-67(89)63(85)59(81)53(43-75)99-71)35-27-19-11-7-4-3-5-8-13-21-31-39-51-41-57(79)93-45-56-62(84)66(88)70(92)74(102-56)98-52(42-58(80)94-46-55-61(83)65(87)69(91)73(97-51)101-55)40-32-22-14-10-6-9-12-20-28-36-50(38-30-24-16-18-26-34-48(2)78)96-72-68(90)64(86)60(82)54(44-76)100-72/h47-56,59-78,81-92H,3-46H2,1-2H3/t47-,48-,49-,50+,51-,52-,53-,54-,55+,56+,59-,60-,61+,62-,63-,64-,65-,66-,67-,68-,69+,70+,71-,72+,73+,74+/m0/s1
> <INCHI_KEY>
MJOWUFVVQKZBJZ-UHFFFAOYSA-N
> <FORMULA>
C74H136O28
> <MOLECULAR_WEIGHT>
1473.874
> <EXACT_MASS>
1472.921813739
> <JCHEM_ACCEPTOR_COUNT>
26
> <JCHEM_ATOM_COUNT>
238
> <JCHEM_AVERAGE_POLARIZABILITY>
159.25831421330935
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
16
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(1R,3S,8R,9S,10S,11R,12R,14S,19R,20R,21S,22R)-9,10,11,20,21,22-hexahydroxy-3-[(12R,20S)-20-hydroxy-12-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}henicosyl]-14-[(14S,22S)-22-hydroxy-14-{[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricosyl]-2,6,13,17,23,24-hexaoxatricyclo[17.3.1.1^{8,12}]tetracosane-5,16-dione
> <JCHEM_LOGP>
6.596597490000001
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
5
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
12.096459400774572
> <JCHEM_PKA_STRONGEST_ACIDIC>
11.677268093328882
> <JCHEM_PKA_STRONGEST_BASIC>
-3.6786190641044376
> <JCHEM_POLAR_SURFACE_AREA>
450.1200000000001
> <JCHEM_REFRACTIVITY>
369.5169999999997
> <JCHEM_ROTATABLE_BOND_COUNT>
48
> <JCHEM_RULE_OF_FIVE>
0
> <JCHEM_TRADITIONAL_IUPAC>
(1R,3S,8R,9S,10S,11R,12R,14S,19R,20R,21S,22R)-9,10,11,20,21,22-hexahydroxy-3-[(12R,20S)-20-hydroxy-12-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}henicosyl]-14-[(14S,22S)-22-hydroxy-14-{[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricosyl]-2,6,13,17,23,24-hexaoxatricyclo[17.3.1.1^{8,12}]tetracosane-5,16-dione
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0003619 (Fattiviracin FV-10)
RDKit 3D
238242 0 0 0 0 0 0 0 0999 V2000
6.7083 -4.4858 8.6473 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4972 -3.7601 7.6113 C 0 0 2 0 0 0 0 0 0 0 0 0
8.5981 -3.1331 8.1876 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7199 -2.8016 6.7729 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5936 -3.4833 6.0025 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8942 -2.4509 5.1716 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7681 -3.0485 4.3805 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7229 -3.6304 5.3160 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5702 -4.2151 4.5280 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8806 -3.2011 3.6444 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1680 -2.0951 4.2641 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.3776 -1.1256 3.2447 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5461 -0.3837 2.3922 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4219 -0.9773 1.3831 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7094 -1.6442 0.2325 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7122 -2.2558 -0.7054 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4434 -3.4528 -0.1136 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4197 -4.5463 0.1804 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6794 -4.9731 -1.0898 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5951 -5.5783 -2.0815 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0105 -5.9715 -3.3755 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5686 -4.9213 -4.2872 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4974 -3.9480 -3.9816 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8097 -4.6148 -3.7625 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9402 -3.5843 -3.4631 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.6597 -2.8461 -2.1551 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1358 -3.6443 -0.9896 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8321 -4.8501 -0.9479 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8748 -3.0572 -0.0170 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0057 -1.7219 0.3414 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4481 -1.3747 0.7433 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.4702 -0.1647 1.3462 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7941 0.9415 0.5768 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.6522 1.3801 -0.0136 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4546 2.7432 -0.1140 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.5603 3.5214 1.1319 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6982 3.2344 2.2750 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2102 3.4184 2.0999 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4844 3.0492 3.3811 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0022 3.2508 3.3403 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3498 4.7140 3.1550 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8209 4.9186 3.1631 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6095 4.2662 2.0917 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2482 4.7498 0.7034 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1438 4.0273 -0.2679 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9479 4.4293 -1.6889 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6474 4.2461 -2.3152 C 0 0 2 0 0 0 0 0 0 0 0 0
1.1298 2.8445 -2.3949 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0199 1.9050 -3.1877 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3846 0.5388 -3.1974 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1184 -0.5233 -3.9246 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2671 -0.1551 -5.3738 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9503 -1.2331 -6.1409 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3341 -1.4718 -5.6060 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9237 -2.5979 -6.4741 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3051 -2.8746 -5.9802 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8643 -2.1676 -7.7763 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7148 4.7238 -3.6377 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7858 5.7038 -3.9214 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.0900 5.2525 -4.9302 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6231 4.9402 -6.0875 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.2937 4.2968 -7.0699 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8010 3.1372 -6.4839 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2022 6.2026 -6.7207 C 0 0 2 0 0 0 0 0 0 0 0 0
1.8673 5.8562 -7.8715 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2565 6.6816 -5.7114 C 0 0 2 0 0 0 0 0 0 0 0 0
3.2144 5.6934 -5.5858 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5031 6.9354 -4.4141 C 0 0 2 0 0 0 0 0 0 0 0 0
2.4220 7.3972 -3.4841 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3131 3.0181 -1.0238 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6727 1.7615 -1.5360 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5714 1.4064 -1.0542 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3031 1.0436 -2.5041 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1956 1.4794 -3.4936 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3179 0.3695 -4.5298 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.8426 -0.7894 -3.9583 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7221 -1.8336 -4.9004 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8727 -2.7209 -4.4855 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0701 -2.2240 -5.4453 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.8597 -2.9567 -6.6128 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8090 -0.9575 -5.9138 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.0707 -1.2876 -6.3487 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7715 0.1364 -4.8784 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.3636 1.2536 -5.4621 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9707 0.7483 -0.3004 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.0069 1.6131 0.0522 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.5423 -0.6455 -0.2796 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.3518 -0.8623 -1.4103 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4073 -1.6253 -0.3498 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.8627 -1.5472 -1.6245 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7038 -1.4480 5.3579 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0975 -1.4675 6.4890 C 0 0 1 0 0 0 0 0 0 0 0 0
0.4403 -2.1554 7.5425 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0504 -1.4261 8.5159 C 0 0 1 0 0 0 0 0 0 0 0 0
2.2649 -2.1796 9.0097 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9425 -3.4351 9.5409 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5422 -0.0730 8.0617 C 0 0 2 0 0 0 0 0 0 0 0 0
2.0969 0.5626 9.1714 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3526 0.7491 7.6210 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.2582 1.3287 8.7366 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6253 -0.1049 6.8889 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.8338 -0.2737 7.5864 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9733 -5.5693 8.7136 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6104 -4.3378 8.5734 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9858 -4.0658 9.6511 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9286 -4.5391 6.9326 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5489 -2.1665 8.0512 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2593 -1.9981 7.4105 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4151 -2.2680 6.1000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9249 -4.0177 6.6908 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0788 -4.2655 5.3710 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5961 -1.8661 4.5400 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4306 -1.7112 5.8939 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2246 -3.9018 3.7953 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3471 -2.3832 3.6293 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3846 -2.8877 6.0056 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1651 -4.4845 5.8667 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8983 -4.7218 5.2128 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0232 -4.9625 3.8403 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0490 -3.8551 3.1480 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5228 -2.9887 2.7969 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8101 -2.5612 4.7069 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1409 -1.7258 2.6669 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0144 -0.3726 3.7951 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2180 0.2224 3.0876 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0092 0.4725 1.8607 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8668 -0.0145 0.8308 H 0 0 0 0 0 0 0 0 0 0 0 0
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M END
PDB for NP0003619 (Fattiviracin FV-10)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 6.708 -4.486 8.647 0.00 0.00 C+0 HETATM 2 C UNK 0 7.497 -3.760 7.611 0.00 0.00 C+0 HETATM 3 O UNK 0 8.598 -3.133 8.188 0.00 0.00 O+0 HETATM 4 C UNK 0 6.720 -2.802 6.773 0.00 0.00 C+0 HETATM 5 C UNK 0 5.594 -3.483 6.003 0.00 0.00 C+0 HETATM 6 C UNK 0 4.894 -2.451 5.172 0.00 0.00 C+0 HETATM 7 C UNK 0 3.768 -3.049 4.380 0.00 0.00 C+0 HETATM 8 C UNK 0 2.723 -3.630 5.316 0.00 0.00 C+0 HETATM 9 C UNK 0 1.570 -4.215 4.528 0.00 0.00 C+0 HETATM 10 C UNK 0 0.881 -3.201 3.644 0.00 0.00 C+0 HETATM 11 C UNK 0 0.168 -2.095 4.264 0.00 0.00 C+0 HETATM 12 C UNK 0 -0.378 -1.126 3.245 0.00 0.00 C+0 HETATM 13 C UNK 0 0.546 -0.384 2.392 0.00 0.00 C+0 HETATM 14 C UNK 0 1.422 -0.977 1.383 0.00 0.00 C+0 HETATM 15 C UNK 0 0.709 -1.644 0.233 0.00 0.00 C+0 HETATM 16 C UNK 0 1.712 -2.256 -0.705 0.00 0.00 C+0 HETATM 17 C UNK 0 2.443 -3.453 -0.114 0.00 0.00 C+0 HETATM 18 C UNK 0 1.420 -4.546 0.180 0.00 0.00 C+0 HETATM 19 C UNK 0 0.679 -4.973 -1.090 0.00 0.00 C+0 HETATM 20 C UNK 0 1.595 -5.578 -2.082 0.00 0.00 C+0 HETATM 21 C UNK 0 1.010 -5.971 -3.376 0.00 0.00 C+0 HETATM 22 C UNK 0 0.569 -4.921 -4.287 0.00 0.00 C+0 HETATM 23 C UNK 0 -0.497 -3.948 -3.982 0.00 0.00 C+0 HETATM 24 C UNK 0 -1.810 -4.615 -3.763 0.00 0.00 C+0 HETATM 25 C UNK 0 -2.940 -3.584 -3.463 0.00 0.00 C+0 HETATM 26 C UNK 0 -2.660 -2.846 -2.155 0.00 0.00 C+0 HETATM 27 C UNK 0 -3.136 -3.644 -0.990 0.00 0.00 C+0 HETATM 28 O UNK 0 -2.832 -4.850 -0.948 0.00 0.00 O+0 HETATM 29 O UNK 0 -3.875 -3.057 -0.017 0.00 0.00 O+0 HETATM 30 C UNK 0 -4.006 -1.722 0.341 0.00 0.00 C+0 HETATM 31 C UNK 0 -5.448 -1.375 0.743 0.00 0.00 C+0 HETATM 32 O UNK 0 -5.470 -0.165 1.346 0.00 0.00 O+0 HETATM 33 C UNK 0 -5.794 0.942 0.577 0.00 0.00 C+0 HETATM 34 O UNK 0 -4.652 1.380 -0.014 0.00 0.00 O+0 HETATM 35 C UNK 0 -4.455 2.743 -0.114 0.00 0.00 C+0 HETATM 36 C UNK 0 -4.560 3.521 1.132 0.00 0.00 C+0 HETATM 37 C UNK 0 -3.698 3.234 2.275 0.00 0.00 C+0 HETATM 38 C UNK 0 -2.210 3.418 2.100 0.00 0.00 C+0 HETATM 39 C UNK 0 -1.484 3.049 3.381 0.00 0.00 C+0 HETATM 40 C UNK 0 -0.002 3.251 3.340 0.00 0.00 C+0 HETATM 41 C UNK 0 0.350 4.714 3.155 0.00 0.00 C+0 HETATM 42 C UNK 0 1.821 4.919 3.163 0.00 0.00 C+0 HETATM 43 C UNK 0 2.610 4.266 2.092 0.00 0.00 C+0 HETATM 44 C UNK 0 2.248 4.750 0.703 0.00 0.00 C+0 HETATM 45 C UNK 0 3.144 4.027 -0.268 0.00 0.00 C+0 HETATM 46 C UNK 0 2.948 4.429 -1.689 0.00 0.00 C+0 HETATM 47 C UNK 0 1.647 4.246 -2.315 0.00 0.00 C+0 HETATM 48 C UNK 0 1.130 2.845 -2.395 0.00 0.00 C+0 HETATM 49 C UNK 0 2.020 1.905 -3.188 0.00 0.00 C+0 HETATM 50 C UNK 0 1.385 0.539 -3.197 0.00 0.00 C+0 HETATM 51 C UNK 0 2.118 -0.523 -3.925 0.00 0.00 C+0 HETATM 52 C UNK 0 2.267 -0.155 -5.374 0.00 0.00 C+0 HETATM 53 C UNK 0 2.950 -1.233 -6.141 0.00 0.00 C+0 HETATM 54 C UNK 0 4.334 -1.472 -5.606 0.00 0.00 C+0 HETATM 55 C UNK 0 4.924 -2.598 -6.474 0.00 0.00 C+0 HETATM 56 C UNK 0 6.305 -2.875 -5.980 0.00 0.00 C+0 HETATM 57 O UNK 0 4.864 -2.168 -7.776 0.00 0.00 O+0 HETATM 58 O UNK 0 1.715 4.724 -3.638 0.00 0.00 O+0 HETATM 59 C UNK 0 0.786 5.704 -3.921 0.00 0.00 C+0 HETATM 60 O UNK 0 -0.090 5.253 -4.930 0.00 0.00 O+0 HETATM 61 C UNK 0 0.623 4.940 -6.088 0.00 0.00 C+0 HETATM 62 C UNK 0 -0.294 4.297 -7.070 0.00 0.00 C+0 HETATM 63 O UNK 0 -0.801 3.137 -6.484 0.00 0.00 O+0 HETATM 64 C UNK 0 1.202 6.203 -6.721 0.00 0.00 C+0 HETATM 65 O UNK 0 1.867 5.856 -7.872 0.00 0.00 O+0 HETATM 66 C UNK 0 2.256 6.682 -5.711 0.00 0.00 C+0 HETATM 67 O UNK 0 3.214 5.693 -5.586 0.00 0.00 O+0 HETATM 68 C UNK 0 1.503 6.935 -4.414 0.00 0.00 C+0 HETATM 69 O UNK 0 2.422 7.397 -3.484 0.00 0.00 O+0 HETATM 70 C UNK 0 -3.313 3.018 -1.024 0.00 0.00 C+0 HETATM 71 C UNK 0 -2.673 1.762 -1.536 0.00 0.00 C+0 HETATM 72 O UNK 0 -1.571 1.406 -1.054 0.00 0.00 O+0 HETATM 73 O UNK 0 -3.303 1.044 -2.504 0.00 0.00 O+0 HETATM 74 C UNK 0 -4.196 1.479 -3.494 0.00 0.00 C+0 HETATM 75 C UNK 0 -4.318 0.370 -4.530 0.00 0.00 C+0 HETATM 76 O UNK 0 -3.843 -0.789 -3.958 0.00 0.00 O+0 HETATM 77 C UNK 0 -3.722 -1.834 -4.900 0.00 0.00 C+0 HETATM 78 O UNK 0 -2.873 -2.721 -4.486 0.00 0.00 O+0 HETATM 79 C UNK 0 -5.070 -2.224 -5.445 0.00 0.00 C+0 HETATM 80 O UNK 0 -4.860 -2.957 -6.613 0.00 0.00 O+0 HETATM 81 C UNK 0 -5.809 -0.958 -5.914 0.00 0.00 C+0 HETATM 82 O UNK 0 -7.071 -1.288 -6.349 0.00 0.00 O+0 HETATM 83 C UNK 0 -5.771 0.136 -4.878 0.00 0.00 C+0 HETATM 84 O UNK 0 -6.364 1.254 -5.462 0.00 0.00 O+0 HETATM 85 C UNK 0 -6.971 0.748 -0.300 0.00 0.00 C+0 HETATM 86 O UNK 0 -8.007 1.613 0.052 0.00 0.00 O+0 HETATM 87 C UNK 0 -7.542 -0.646 -0.280 0.00 0.00 C+0 HETATM 88 O UNK 0 -8.352 -0.862 -1.410 0.00 0.00 O+0 HETATM 89 C UNK 0 -6.407 -1.625 -0.350 0.00 0.00 C+0 HETATM 90 O UNK 0 -5.863 -1.547 -1.625 0.00 0.00 O+0 HETATM 91 O UNK 0 0.704 -1.448 5.358 0.00 0.00 O+0 HETATM 92 C UNK 0 -0.098 -1.468 6.489 0.00 0.00 C+0 HETATM 93 O UNK 0 0.440 -2.155 7.543 0.00 0.00 O+0 HETATM 94 C UNK 0 1.050 -1.426 8.516 0.00 0.00 C+0 HETATM 95 C UNK 0 2.265 -2.180 9.010 0.00 0.00 C+0 HETATM 96 O UNK 0 1.942 -3.435 9.541 0.00 0.00 O+0 HETATM 97 C UNK 0 1.542 -0.073 8.062 0.00 0.00 C+0 HETATM 98 O UNK 0 2.097 0.563 9.171 0.00 0.00 O+0 HETATM 99 C UNK 0 0.353 0.749 7.621 0.00 0.00 C+0 HETATM 100 O UNK 0 -0.258 1.329 8.737 0.00 0.00 O+0 HETATM 101 C UNK 0 -0.625 -0.105 6.889 0.00 0.00 C+0 HETATM 102 O UNK 0 -1.834 -0.274 7.586 0.00 0.00 O+0 HETATM 103 H UNK 0 6.973 -5.569 8.714 0.00 0.00 H+0 HETATM 104 H UNK 0 5.610 -4.338 8.573 0.00 0.00 H+0 HETATM 105 H UNK 0 6.986 -4.066 9.651 0.00 0.00 H+0 HETATM 106 H UNK 0 7.929 -4.539 6.933 0.00 0.00 H+0 HETATM 107 H UNK 0 8.549 -2.167 8.051 0.00 0.00 H+0 HETATM 108 H UNK 0 6.259 -1.998 7.410 0.00 0.00 H+0 HETATM 109 H UNK 0 7.415 -2.268 6.100 0.00 0.00 H+0 HETATM 110 H UNK 0 4.925 -4.018 6.691 0.00 0.00 H+0 HETATM 111 H UNK 0 6.079 -4.266 5.371 0.00 0.00 H+0 HETATM 112 H UNK 0 5.596 -1.866 4.540 0.00 0.00 H+0 HETATM 113 H UNK 0 4.431 -1.711 5.894 0.00 0.00 H+0 HETATM 114 H UNK 0 4.225 -3.902 3.795 0.00 0.00 H+0 HETATM 115 H UNK 0 3.347 -2.383 3.629 0.00 0.00 H+0 HETATM 116 H UNK 0 2.385 -2.888 6.006 0.00 0.00 H+0 HETATM 117 H UNK 0 3.165 -4.484 5.867 0.00 0.00 H+0 HETATM 118 H UNK 0 0.898 -4.722 5.213 0.00 0.00 H+0 HETATM 119 H UNK 0 2.023 -4.963 3.840 0.00 0.00 H+0 HETATM 120 H UNK 0 0.049 -3.855 3.148 0.00 0.00 H+0 HETATM 121 H UNK 0 1.523 -2.989 2.797 0.00 0.00 H+0 HETATM 122 H UNK 0 -0.810 -2.561 4.707 0.00 0.00 H+0 HETATM 123 H UNK 0 -1.141 -1.726 2.667 0.00 0.00 H+0 HETATM 124 H UNK 0 -1.014 -0.373 3.795 0.00 0.00 H+0 HETATM 125 H UNK 0 1.218 0.222 3.088 0.00 0.00 H+0 HETATM 126 H UNK 0 -0.009 0.473 1.861 0.00 0.00 H+0 HETATM 127 H UNK 0 1.867 -0.015 0.831 0.00 0.00 H+0 HETATM 128 H UNK 0 2.370 -1.439 1.669 0.00 0.00 H+0 HETATM 129 H UNK 0 -0.035 -2.403 0.595 0.00 0.00 H+0 HETATM 130 H UNK 0 0.101 -0.922 -0.346 0.00 0.00 H+0 HETATM 131 H UNK 0 2.550 -1.516 -0.913 0.00 0.00 H+0 HETATM 132 H UNK 0 1.326 -2.500 -1.706 0.00 0.00 H+0 HETATM 133 H UNK 0 3.180 -3.792 -0.821 0.00 0.00 H+0 HETATM 134 H UNK 0 2.913 -3.175 0.824 0.00 0.00 H+0 HETATM 135 H UNK 0 0.702 -4.265 0.958 0.00 0.00 H+0 HETATM 136 H UNK 0 1.984 -5.428 0.525 0.00 0.00 H+0 HETATM 137 H UNK 0 -0.027 -4.242 -1.421 0.00 0.00 H+0 HETATM 138 H UNK 0 0.021 -5.835 -0.699 0.00 0.00 H+0 HETATM 139 H UNK 0 2.106 -6.469 -1.611 0.00 0.00 H+0 HETATM 140 H UNK 0 2.442 -4.851 -2.335 0.00 0.00 H+0 HETATM 141 H UNK 0 1.804 -6.625 -3.886 0.00 0.00 H+0 HETATM 142 H UNK 0 0.199 -6.742 -3.163 0.00 0.00 H+0 HETATM 143 H UNK 0 1.489 -4.319 -4.603 0.00 0.00 H+0 HETATM 144 H UNK 0 0.311 -5.408 -5.316 0.00 0.00 H+0 HETATM 145 H UNK 0 -0.200 -3.150 -3.314 0.00 0.00 H+0 HETATM 146 H UNK 0 -0.666 -3.378 -4.994 0.00 0.00 H+0 HETATM 147 H UNK 0 -2.126 -5.084 -4.719 0.00 0.00 H+0 HETATM 148 H UNK 0 -1.816 -5.418 -3.005 0.00 0.00 H+0 HETATM 149 H UNK 0 -3.826 -4.184 -3.305 0.00 0.00 H+0 HETATM 150 H UNK 0 -1.606 -2.606 -2.110 0.00 0.00 H+0 HETATM 151 H UNK 0 -3.188 -1.850 -2.141 0.00 0.00 H+0 HETATM 152 H UNK 0 -3.579 -0.986 -0.348 0.00 0.00 H+0 HETATM 153 H UNK 0 -3.433 -1.578 1.306 0.00 0.00 H+0 HETATM 154 H UNK 0 -5.664 -2.131 1.562 0.00 0.00 H+0 HETATM 155 H UNK 0 -6.088 1.709 1.351 0.00 0.00 H+0 HETATM 156 H UNK 0 -5.383 3.082 -0.719 0.00 0.00 H+0 HETATM 157 H UNK 0 -5.620 3.634 1.456 0.00 0.00 H+0 HETATM 158 H UNK 0 -4.312 4.606 0.828 0.00 0.00 H+0 HETATM 159 H UNK 0 -3.869 2.249 2.765 0.00 0.00 H+0 HETATM 160 H UNK 0 -3.975 3.964 3.103 0.00 0.00 H+0 HETATM 161 H UNK 0 -1.924 4.450 1.840 0.00 0.00 H+0 HETATM 162 H UNK 0 -1.835 2.655 1.355 0.00 0.00 H+0 HETATM 163 H UNK 0 -1.856 3.675 4.246 0.00 0.00 H+0 HETATM 164 H UNK 0 -1.749 2.002 3.685 0.00 0.00 H+0 HETATM 165 H UNK 0 0.363 2.722 2.407 0.00 0.00 H+0 HETATM 166 H UNK 0 0.531 2.791 4.168 0.00 0.00 H+0 HETATM 167 H UNK 0 -0.037 5.077 2.181 0.00 0.00 H+0 HETATM 168 H UNK 0 -0.097 5.319 3.943 0.00 0.00 H+0 HETATM 169 H UNK 0 2.046 6.007 3.174 0.00 0.00 H+0 HETATM 170 H UNK 0 2.182 4.519 4.158 0.00 0.00 H+0 HETATM 171 H UNK 0 2.594 3.161 2.179 0.00 0.00 H+0 HETATM 172 H UNK 0 3.688 4.546 2.254 0.00 0.00 H+0 HETATM 173 H UNK 0 2.452 5.840 0.700 0.00 0.00 H+0 HETATM 174 H UNK 0 1.170 4.630 0.482 0.00 0.00 H+0 HETATM 175 H UNK 0 3.062 2.927 -0.170 0.00 0.00 H+0 HETATM 176 H UNK 0 4.189 4.282 0.009 0.00 0.00 H+0 HETATM 177 H UNK 0 3.731 3.880 -2.281 0.00 0.00 H+0 HETATM 178 H UNK 0 3.259 5.493 -1.764 0.00 0.00 H+0 HETATM 179 H UNK 0 0.840 4.859 -1.830 0.00 0.00 H+0 HETATM 180 H UNK 0 0.145 2.860 -2.901 0.00 0.00 H+0 HETATM 181 H UNK 0 0.959 2.372 -1.408 0.00 0.00 H+0 HETATM 182 H UNK 0 2.156 2.251 -4.221 0.00 0.00 H+0 HETATM 183 H UNK 0 2.989 1.801 -2.663 0.00 0.00 H+0 HETATM 184 H UNK 0 1.216 0.184 -2.142 0.00 0.00 H+0 HETATM 185 H UNK 0 0.373 0.684 -3.653 0.00 0.00 H+0 HETATM 186 H UNK 0 1.495 -1.465 -3.880 0.00 0.00 H+0 HETATM 187 H UNK 0 3.097 -0.748 -3.438 0.00 0.00 H+0 HETATM 188 H UNK 0 1.267 0.109 -5.786 0.00 0.00 H+0 HETATM 189 H UNK 0 2.867 0.806 -5.383 0.00 0.00 H+0 HETATM 190 H UNK 0 2.315 -2.142 -6.073 0.00 0.00 H+0 HETATM 191 H UNK 0 2.991 -0.882 -7.208 0.00 0.00 H+0 HETATM 192 H UNK 0 5.004 -0.595 -5.799 0.00 0.00 H+0 HETATM 193 H UNK 0 4.391 -1.726 -4.549 0.00 0.00 H+0 HETATM 194 H UNK 0 4.240 -3.473 -6.325 0.00 0.00 H+0 HETATM 195 H UNK 0 6.713 -3.698 -6.607 0.00 0.00 H+0 HETATM 196 H UNK 0 6.903 -1.965 -6.087 0.00 0.00 H+0 HETATM 197 H UNK 0 6.231 -3.179 -4.908 0.00 0.00 H+0 HETATM 198 H UNK 0 5.189 -1.252 -7.843 0.00 0.00 H+0 HETATM 199 H UNK 0 0.145 5.978 -3.082 0.00 0.00 H+0 HETATM 200 H UNK 0 1.473 4.274 -5.903 0.00 0.00 H+0 HETATM 201 H UNK 0 0.225 4.075 -8.032 0.00 0.00 H+0 HETATM 202 H UNK 0 -1.100 5.031 -7.333 0.00 0.00 H+0 HETATM 203 H UNK 0 -1.772 3.142 -6.624 0.00 0.00 H+0 HETATM 204 H UNK 0 0.437 6.958 -6.896 0.00 0.00 H+0 HETATM 205 H UNK 0 2.110 6.619 -8.444 0.00 0.00 H+0 HETATM 206 H UNK 0 2.690 7.630 -6.034 0.00 0.00 H+0 HETATM 207 H UNK 0 3.435 5.391 -6.497 0.00 0.00 H+0 HETATM 208 H UNK 0 0.765 7.748 -4.681 0.00 0.00 H+0 HETATM 209 H UNK 0 2.837 8.249 -3.760 0.00 0.00 H+0 HETATM 210 H UNK 0 -2.516 3.657 -0.644 0.00 0.00 H+0 HETATM 211 H UNK 0 -3.637 3.541 -1.984 0.00 0.00 H+0 HETATM 212 H UNK 0 -5.216 1.671 -3.095 0.00 0.00 H+0 HETATM 213 H UNK 0 -3.865 2.433 -3.968 0.00 0.00 H+0 HETATM 214 H UNK 0 -3.749 0.646 -5.455 0.00 0.00 H+0 HETATM 215 H UNK 0 -3.239 -1.275 -5.789 0.00 0.00 H+0 HETATM 216 H UNK 0 -5.742 -2.705 -4.729 0.00 0.00 H+0 HETATM 217 H UNK 0 -4.279 -2.426 -7.215 0.00 0.00 H+0 HETATM 218 H UNK 0 -5.239 -0.571 -6.808 0.00 0.00 H+0 HETATM 219 H UNK 0 -7.486 -0.465 -6.724 0.00 0.00 H+0 HETATM 220 H UNK 0 -6.316 -0.223 -3.997 0.00 0.00 H+0 HETATM 221 H UNK 0 -5.665 1.838 -5.824 0.00 0.00 H+0 HETATM 222 H UNK 0 -6.736 0.980 -1.357 0.00 0.00 H+0 HETATM 223 H UNK 0 -8.563 1.238 0.787 0.00 0.00 H+0 HETATM 224 H UNK 0 -8.173 -0.864 0.599 0.00 0.00 H+0 HETATM 225 H UNK 0 -7.859 -0.477 -2.179 0.00 0.00 H+0 HETATM 226 H UNK 0 -6.845 -2.638 -0.249 0.00 0.00 H+0 HETATM 227 H UNK 0 -5.563 -0.637 -1.764 0.00 0.00 H+0 HETATM 228 H UNK 0 -1.032 -2.042 6.209 0.00 0.00 H+0 HETATM 229 H UNK 0 0.408 -1.267 9.419 0.00 0.00 H+0 HETATM 230 H UNK 0 2.795 -1.615 9.816 0.00 0.00 H+0 HETATM 231 H UNK 0 3.031 -2.348 8.233 0.00 0.00 H+0 HETATM 232 H UNK 0 1.955 -4.124 8.826 0.00 0.00 H+0 HETATM 233 H UNK 0 2.297 -0.104 7.278 0.00 0.00 H+0 HETATM 234 H UNK 0 2.993 0.925 8.984 0.00 0.00 H+0 HETATM 235 H UNK 0 0.744 1.582 6.995 0.00 0.00 H+0 HETATM 236 H UNK 0 0.053 2.244 8.858 0.00 0.00 H+0 HETATM 237 H UNK 0 -0.896 0.430 5.964 0.00 0.00 H+0 HETATM 238 H UNK 0 -1.759 -0.089 8.532 0.00 0.00 H+0 CONECT 1 2 103 104 105 CONECT 2 1 3 4 106 CONECT 3 2 107 CONECT 4 2 5 108 109 CONECT 5 4 6 110 111 CONECT 6 5 7 112 113 CONECT 7 6 8 114 115 CONECT 8 7 9 116 117 CONECT 9 8 10 118 119 CONECT 10 9 11 120 121 CONECT 11 10 12 91 122 CONECT 12 11 13 123 124 CONECT 13 12 14 125 126 CONECT 14 13 15 127 128 CONECT 15 14 16 129 130 CONECT 16 15 17 131 132 CONECT 17 16 18 133 134 CONECT 18 17 19 135 136 CONECT 19 18 20 137 138 CONECT 20 19 21 139 140 CONECT 21 20 22 141 142 CONECT 22 21 23 143 144 CONECT 23 22 24 145 146 CONECT 24 23 25 147 148 CONECT 25 24 26 78 149 CONECT 26 25 27 150 151 CONECT 27 26 28 29 CONECT 28 27 CONECT 29 27 30 CONECT 30 29 31 152 153 CONECT 31 30 32 89 154 CONECT 32 31 33 CONECT 33 32 34 85 155 CONECT 34 33 35 CONECT 35 34 36 70 156 CONECT 36 35 37 157 158 CONECT 37 36 38 159 160 CONECT 38 37 39 161 162 CONECT 39 38 40 163 164 CONECT 40 39 41 165 166 CONECT 41 40 42 167 168 CONECT 42 41 43 169 170 CONECT 43 42 44 171 172 CONECT 44 43 45 173 174 CONECT 45 44 46 175 176 CONECT 46 45 47 177 178 CONECT 47 46 48 58 179 CONECT 48 47 49 180 181 CONECT 49 48 50 182 183 CONECT 50 49 51 184 185 CONECT 51 50 52 186 187 CONECT 52 51 53 188 189 CONECT 53 52 54 190 191 CONECT 54 53 55 192 193 CONECT 55 54 56 57 194 CONECT 56 55 195 196 197 CONECT 57 55 198 CONECT 58 47 59 CONECT 59 58 60 68 199 CONECT 60 59 61 CONECT 61 60 62 64 200 CONECT 62 61 63 201 202 CONECT 63 62 203 CONECT 64 61 65 66 204 CONECT 65 64 205 CONECT 66 64 67 68 206 CONECT 67 66 207 CONECT 68 66 69 59 208 CONECT 69 68 209 CONECT 70 35 71 210 211 CONECT 71 70 72 73 CONECT 72 71 CONECT 73 71 74 CONECT 74 73 75 212 213 CONECT 75 74 76 83 214 CONECT 76 75 77 CONECT 77 76 78 79 215 CONECT 78 77 25 CONECT 79 77 80 81 216 CONECT 80 79 217 CONECT 81 79 82 83 218 CONECT 82 81 219 CONECT 83 81 84 75 220 CONECT 84 83 221 CONECT 85 33 86 87 222 CONECT 86 85 223 CONECT 87 85 88 89 224 CONECT 88 87 225 CONECT 89 87 90 31 226 CONECT 90 89 227 CONECT 91 11 92 CONECT 92 91 93 101 228 CONECT 93 92 94 CONECT 94 93 95 97 229 CONECT 95 94 96 230 231 CONECT 96 95 232 CONECT 97 94 98 99 233 CONECT 98 97 234 CONECT 99 97 100 101 235 CONECT 100 99 236 CONECT 101 99 102 92 237 CONECT 102 101 238 CONECT 103 1 CONECT 104 1 CONECT 105 1 CONECT 106 2 CONECT 107 3 CONECT 108 4 CONECT 109 4 CONECT 110 5 CONECT 111 5 CONECT 112 6 CONECT 113 6 CONECT 114 7 CONECT 115 7 CONECT 116 8 CONECT 117 8 CONECT 118 9 CONECT 119 9 CONECT 120 10 CONECT 121 10 CONECT 122 11 CONECT 123 12 CONECT 124 12 CONECT 125 13 CONECT 126 13 CONECT 127 14 CONECT 128 14 CONECT 129 15 CONECT 130 15 CONECT 131 16 CONECT 132 16 CONECT 133 17 CONECT 134 17 CONECT 135 18 CONECT 136 18 CONECT 137 19 CONECT 138 19 CONECT 139 20 CONECT 140 20 CONECT 141 21 CONECT 142 21 CONECT 143 22 CONECT 144 22 CONECT 145 23 CONECT 146 23 CONECT 147 24 CONECT 148 24 CONECT 149 25 CONECT 150 26 CONECT 151 26 CONECT 152 30 CONECT 153 30 CONECT 154 31 CONECT 155 33 CONECT 156 35 CONECT 157 36 CONECT 158 36 CONECT 159 37 CONECT 160 37 CONECT 161 38 CONECT 162 38 CONECT 163 39 CONECT 164 39 CONECT 165 40 CONECT 166 40 CONECT 167 41 CONECT 168 41 CONECT 169 42 CONECT 170 42 CONECT 171 43 CONECT 172 43 CONECT 173 44 CONECT 174 44 CONECT 175 45 CONECT 176 45 CONECT 177 46 CONECT 178 46 CONECT 179 47 CONECT 180 48 CONECT 181 48 CONECT 182 49 CONECT 183 49 CONECT 184 50 CONECT 185 50 CONECT 186 51 CONECT 187 51 CONECT 188 52 CONECT 189 52 CONECT 190 53 CONECT 191 53 CONECT 192 54 CONECT 193 54 CONECT 194 55 CONECT 195 56 CONECT 196 56 CONECT 197 56 CONECT 198 57 CONECT 199 59 CONECT 200 61 CONECT 201 62 CONECT 202 62 CONECT 203 63 CONECT 204 64 CONECT 205 65 CONECT 206 66 CONECT 207 67 CONECT 208 68 CONECT 209 69 CONECT 210 70 CONECT 211 70 CONECT 212 74 CONECT 213 74 CONECT 214 75 CONECT 215 77 CONECT 216 79 CONECT 217 80 CONECT 218 81 CONECT 219 82 CONECT 220 83 CONECT 221 84 CONECT 222 85 CONECT 223 86 CONECT 224 87 CONECT 225 88 CONECT 226 89 CONECT 227 90 CONECT 228 92 CONECT 229 94 CONECT 230 95 CONECT 231 95 CONECT 232 96 CONECT 233 97 CONECT 234 98 CONECT 235 99 CONECT 236 100 CONECT 237 101 CONECT 238 102 MASTER 0 0 0 0 0 0 0 0 238 0 484 0 END SMILES for NP0003619 (Fattiviracin FV-10)[H]OC([H])([H])[C@]1([H])O[C@]([H])(O[C@@]([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])[C@]2([H])O[C@]3([H])O[C@]([H])(C([H])([H])OC(=O)C([H])([H])[C@@]([H])(O[C@]4([H])O[C@]([H])(C([H])([H])OC(=O)C2([H])[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]4([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])(O[C@]2([H])O[C@@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@]2([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])(O[H])C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([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])(O[H])C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H] INCHI for NP0003619 (Fattiviracin FV-10)InChI=1S/C74H136O28/c1-47(77)33-25-17-15-23-29-37-49(95-71-67(89)63(85)59(81)53(43-75)99-71)35-27-19-11-7-4-3-5-8-13-21-31-39-51-41-57(79)93-45-56-62(84)66(88)70(92)74(102-56)98-52(42-58(80)94-46-55-61(83)65(87)69(91)73(97-51)101-55)40-32-22-14-10-6-9-12-20-28-36-50(38-30-24-16-18-26-34-48(2)78)96-72-68(90)64(86)60(82)54(44-76)100-72/h47-56,59-78,81-92H,3-46H2,1-2H3/t47-,48-,49-,50+,51-,52-,53-,54-,55+,56+,59-,60-,61+,62-,63-,64-,65-,66-,67-,68-,69+,70+,71-,72+,73+,74+/m0/s1 3D Structure for NP0003619 (Fattiviracin FV-10) | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C74H136O28 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1473.8740 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1472.92181 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (1R,3S,8R,9S,10S,11R,12R,14S,19R,20R,21S,22R)-9,10,11,20,21,22-hexahydroxy-3-[(12R,20S)-20-hydroxy-12-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}henicosyl]-14-[(14S,22S)-22-hydroxy-14-{[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricosyl]-2,6,13,17,23,24-hexaoxatricyclo[17.3.1.1^{8,12}]tetracosane-5,16-dione | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (1R,3S,8R,9S,10S,11R,12R,14S,19R,20R,21S,22R)-9,10,11,20,21,22-hexahydroxy-3-[(12R,20S)-20-hydroxy-12-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}henicosyl]-14-[(14S,22S)-22-hydroxy-14-{[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricosyl]-2,6,13,17,23,24-hexaoxatricyclo[17.3.1.1^{8,12}]tetracosane-5,16-dione | |||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CC(O)CCCCCCCC(CCCCCCCCCCCCCC1CC(=O)OCC2OC(OC(CCCCCCCCCCCC(CCCCCCCC(C)O)OC3OC(CO)C(O)C(O)C3O)CC(=O)OCC3OC(O1)C(O)C(O)C3O)C(O)C(O)C2O)OC1OC(CO)C(O)C(O)C1O | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C74H136O28/c1-47(77)33-25-17-15-23-29-37-49(95-71-67(89)63(85)59(81)53(43-75)99-71)35-27-19-11-7-4-3-5-8-13-21-31-39-51-41-57(79)93-45-56-62(84)66(88)70(92)74(102-56)98-52(42-58(80)94-46-55-61(83)65(87)69(91)73(97-51)101-55)40-32-22-14-10-6-9-12-20-28-36-50(38-30-24-16-18-26-34-48(2)78)96-72-68(90)64(86)60(82)54(44-76)100-72/h47-56,59-78,81-92H,3-46H2,1-2H3 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | MJOWUFVVQKZBJZ-UHFFFAOYSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||
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| 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 | NPA005646 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 78444027 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 85132091 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | ||||||||||||||||||||||||||||||||||||||||||||||||||||
