Showing NP-Card for Fattiviracin FV-8 (NP0003622)
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2020-12-09 00:49:13 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 16:46:55 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0003622 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Fattiviracin FV-8 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | 9,10,11,20,21,22-Hexahydroxy-3-(18-hydroxy-12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}nonadecyl)-14-(20-hydroxy-14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}henicosyl)-2,6,13,17,23,24-hexaoxatricyclo[17.3.1.1⁸,¹²]Tetracosane-5,16-dione belongs to the class of organic compounds known as saccharolipids. Saccharolipids are compounds in which fatty acids are linked directly to a sugar backbone, forming structures that are compatible with membrane bilayers. In the saccharolipids, a sugar substitutes for the glycerol backbone that is present in glycerolipids and glycerophospholipids. The most familiar saccharolipids contain an acylated glucosamine. In contrast to others glycolipids, the fatty acid is not glycosidically linked to the sugar moiety. Fattiviracin FV-8 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-(18-hydroxy-12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}nonadecyl)-14-(20-hydroxy-14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}henicosyl)-2,6,13,17,23,24-hexaoxatricyclo[17.3.1.1⁸,¹²]Tetracosane-5,16-dione. | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0003622 (Fattiviracin FV-8)
Mrv1652307012117103D
226230 0 0 0 0 999 V2000
18.1551 1.5718 -1.6477 C 0 0 0 0 0 0 0 0 0 0 0 0
18.2672 3.0505 -1.5533 C 0 0 2 0 0 0 0 0 0 0 0 0
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16.0129 3.9415 -0.5626 C 0 0 2 0 0 0 0 0 0 0 0 0
15.2307 2.7779 -0.0831 C 0 0 2 0 0 0 0 0 0 0 0 0
15.9684 1.8919 0.8246 C 0 0 2 0 0 0 0 0 0 0 0 0
15.3286 0.6599 1.3378 C 0 0 1 0 0 0 0 0 0 0 0 0
14.9102 -0.4191 0.4529 C 0 0 1 0 0 0 0 0 0 0 0 0
13.9252 -0.3259 -0.6125 C 0 0 2 0 0 0 0 0 0 0 0 0
12.5188 0.0392 -0.3558 C 0 0 2 0 0 0 0 0 0 0 0 0
12.1784 1.3612 0.1914 C 0 0 1 0 0 0 0 0 0 0 0 0
10.6824 1.5796 0.4247 C 0 0 2 0 0 0 0 0 0 0 0 0
9.8619 1.4673 -0.8445 C 0 0 2 0 0 0 0 0 0 0 0 0
8.4349 1.7261 -0.4646 C 0 0 1 0 0 0 0 0 0 0 0 0
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M END
3D MOL for NP0003622 (Fattiviracin FV-8)
RDKit 3D
226230 0 0 0 0 0 0 0 0999 V2000
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M END
3D SDF for NP0003622 (Fattiviracin FV-8)
Mrv1652307012117103D
226230 0 0 0 0 999 V2000
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85 86 1 0 0 0 0
9 87 1 0 0 0 0
87 88 1 0 0 0 0
88 89 1 0 0 0 0
89 90 1 0 0 0 0
90 91 1 0 0 0 0
91 92 1 0 0 0 0
90 93 1 0 0 0 0
93 94 1 0 0 0 0
93 95 1 0 0 0 0
95 96 1 0 0 0 0
95 97 1 0 0 0 0
97 98 1 0 0 0 0
74 23 1 0 0 0 0
97 88 1 0 0 0 0
85 29 1 0 0 0 0
64 55 1 0 0 0 0
79 71 1 0 0 0 0
1 99 1 0 0 0 0
1100 1 0 0 0 0
1101 1 0 0 0 0
2102 1 6 0 0 0
3103 1 0 0 0 0
4104 1 0 0 0 0
4105 1 0 0 0 0
5106 1 0 0 0 0
5107 1 0 0 0 0
6108 1 0 0 0 0
6109 1 0 0 0 0
7110 1 0 0 0 0
7111 1 0 0 0 0
8112 1 0 0 0 0
8113 1 0 0 0 0
9114 1 1 0 0 0
10115 1 0 0 0 0
10116 1 0 0 0 0
11117 1 0 0 0 0
11118 1 0 0 0 0
12119 1 0 0 0 0
12120 1 0 0 0 0
13121 1 0 0 0 0
13122 1 0 0 0 0
14123 1 0 0 0 0
14124 1 0 0 0 0
15125 1 0 0 0 0
15126 1 0 0 0 0
16127 1 0 0 0 0
16128 1 0 0 0 0
17129 1 0 0 0 0
17130 1 0 0 0 0
18131 1 0 0 0 0
18132 1 0 0 0 0
19133 1 0 0 0 0
19134 1 0 0 0 0
20135 1 0 0 0 0
20136 1 0 0 0 0
21137 1 0 0 0 0
21138 1 0 0 0 0
22139 1 0 0 0 0
22140 1 0 0 0 0
23141 1 6 0 0 0
24142 1 0 0 0 0
24143 1 0 0 0 0
28144 1 0 0 0 0
28145 1 0 0 0 0
29146 1 6 0 0 0
31147 1 1 0 0 0
33148 1 6 0 0 0
34149 1 0 0 0 0
34150 1 0 0 0 0
35151 1 0 0 0 0
35152 1 0 0 0 0
36153 1 0 0 0 0
36154 1 0 0 0 0
37155 1 0 0 0 0
37156 1 0 0 0 0
38157 1 0 0 0 0
38158 1 0 0 0 0
39159 1 0 0 0 0
39160 1 0 0 0 0
40161 1 0 0 0 0
40162 1 0 0 0 0
41163 1 0 0 0 0
41164 1 0 0 0 0
42165 1 0 0 0 0
42166 1 0 0 0 0
43167 1 0 0 0 0
43168 1 0 0 0 0
44169 1 0 0 0 0
44170 1 0 0 0 0
45171 1 6 0 0 0
46172 1 0 0 0 0
46173 1 0 0 0 0
47174 1 0 0 0 0
47175 1 0 0 0 0
48176 1 0 0 0 0
48177 1 0 0 0 0
49178 1 0 0 0 0
49179 1 0 0 0 0
50180 1 0 0 0 0
50181 1 0 0 0 0
51182 1 1 0 0 0
52183 1 0 0 0 0
52184 1 0 0 0 0
52185 1 0 0 0 0
53186 1 0 0 0 0
55187 1 6 0 0 0
57188 1 1 0 0 0
58189 1 0 0 0 0
58190 1 0 0 0 0
59191 1 0 0 0 0
60192 1 1 0 0 0
61193 1 0 0 0 0
62194 1 6 0 0 0
63195 1 0 0 0 0
64196 1 1 0 0 0
65197 1 0 0 0 0
66198 1 0 0 0 0
66199 1 0 0 0 0
70200 1 0 0 0 0
70201 1 0 0 0 0
71202 1 1 0 0 0
73203 1 1 0 0 0
75204 1 1 0 0 0
76205 1 0 0 0 0
77206 1 6 0 0 0
78207 1 0 0 0 0
79208 1 6 0 0 0
80209 1 0 0 0 0
81210 1 1 0 0 0
82211 1 0 0 0 0
83212 1 1 0 0 0
84213 1 0 0 0 0
85214 1 1 0 0 0
86215 1 0 0 0 0
88216 1 1 0 0 0
90217 1 1 0 0 0
91218 1 0 0 0 0
91219 1 0 0 0 0
92220 1 0 0 0 0
93221 1 6 0 0 0
94222 1 0 0 0 0
95223 1 6 0 0 0
96224 1 0 0 0 0
97225 1 6 0 0 0
98226 1 0 0 0 0
M END
> <DATABASE_ID>
NP0003622
> <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])(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])(O[H])C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
> <INCHI_IDENTIFIER>
InChI=1S/C70H128O28/c1-43(73)29-21-19-27-33-45(91-67-63(85)59(81)55(77)49(39-71)95-67)31-23-15-11-7-4-3-5-8-13-17-25-35-47-37-53(75)89-41-52-58(80)62(84)66(88)70(98-52)94-48(38-54(76)90-42-51-57(79)61(83)65(87)69(93-47)97-51)36-26-18-14-10-6-9-12-16-24-32-46(34-28-20-22-30-44(2)74)92-68-64(86)60(82)56(78)50(40-72)96-68/h43-52,55-74,77-88H,3-42H2,1-2H3/t43-,44-,45+,46+,47-,48-,49+,50-,51+,52-,55-,56+,57+,58-,59-,60-,61+,62-,63-,64+,65+,66+,67+,68+,69-,70-/m0/s1
> <INCHI_KEY>
AHOFUQPZFBOVJX-UHFFFAOYSA-N
> <FORMULA>
C70H128O28
> <MOLECULAR_WEIGHT>
1417.766
> <EXACT_MASS>
1416.859213482
> <JCHEM_ACCEPTOR_COUNT>
26
> <JCHEM_ATOM_COUNT>
226
> <JCHEM_AVERAGE_POLARIZABILITY>
156.3390090567696
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
16
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(1S,3S,8R,9S,10R,11R,12S,14S,19S,20R,21S,22R)-9,10,11,20,21,22-hexahydroxy-3-[(12R,18S)-18-hydroxy-12-{[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}nonadecyl]-14-[(14R,20S)-20-hydroxy-14-{[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}henicosyl]-2,6,13,17,23,24-hexaoxatricyclo[17.3.1.1^{8,12}]tetracosane-5,16-dione
> <JCHEM_LOGP>
4.818322830000003
> <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>
351.1129999999998
> <JCHEM_ROTATABLE_BOND_COUNT>
44
> <JCHEM_RULE_OF_FIVE>
0
> <JCHEM_TRADITIONAL_IUPAC>
(1S,3S,8R,9S,10R,11R,12S,14S,19S,20R,21S,22R)-9,10,11,20,21,22-hexahydroxy-3-[(12R,18S)-18-hydroxy-12-{[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}nonadecyl]-14-[(14R,20S)-20-hydroxy-14-{[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}henicosyl]-2,6,13,17,23,24-hexaoxatricyclo[17.3.1.1^{8,12}]tetracosane-5,16-dione
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0003622 (Fattiviracin FV-8)
RDKit 3D
226230 0 0 0 0 0 0 0 0999 V2000
18.1551 1.5718 -1.6477 C 0 0 0 0 0 0 0 0 0 0 0 0
18.2672 3.0505 -1.5533 C 0 0 2 0 0 0 0 0 0 0 0 0
19.1378 3.4045 -0.4812 O 0 0 0 0 0 0 0 0 0 0 0 0
17.0704 3.8758 -1.5471 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0129 3.9415 -0.5626 C 0 0 0 0 0 0 0 0 0 0 0 0
15.2307 2.7779 -0.0831 C 0 0 0 0 0 0 0 0 0 0 0 0
15.9684 1.8919 0.8246 C 0 0 0 0 0 0 0 0 0 0 0 0
15.3286 0.6599 1.3378 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9102 -0.4191 0.4529 C 0 0 1 0 0 0 0 0 0 0 0 0
13.9252 -0.3259 -0.6125 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5188 0.0392 -0.3558 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1784 1.3612 0.1914 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6824 1.5796 0.4247 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8619 1.4673 -0.8445 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4349 1.7261 -0.4646 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5451 1.6568 -1.6682 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6143 0.2885 -2.2798 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7187 0.1356 -3.4860 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2835 0.3647 -3.1543 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7927 -0.5939 -2.0976 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3174 -0.3002 -1.8531 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7605 -1.1869 -0.7936 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3332 -1.0141 -0.4529 C 0 0 1 0 0 0 0 0 0 0 0 0
0.9755 -2.0529 0.6227 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1446 -2.8878 0.1232 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1726 -3.6919 -0.8203 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4341 -2.8883 0.5514 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2150 -1.7546 0.8768 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7044 -1.9781 0.7097 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.3137 -1.1742 -0.1845 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7611 0.0725 0.2247 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.2674 0.9833 -0.5930 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8217 1.9119 -1.3276 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.0427 2.6248 -1.0478 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4265 2.1551 -0.9768 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1121 1.6539 -2.1652 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8862 0.4256 -2.9057 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3337 -0.8926 -2.4211 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8486 -1.3808 -1.1158 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3923 -2.7398 -0.8301 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.8170 -2.9655 -0.7842 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.6568 -2.3344 0.2403 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.7413 -0.8660 0.2373 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.7150 -0.2722 1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.1386 -0.5304 1.0934 C 0 0 2 0 0 0 0 0 0 0 0 0
-13.8533 0.1641 2.2725 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.6240 1.6301 2.2895 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.1167 2.2911 1.0092 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.5760 2.0416 0.8436 C 0 0 0 0 0 0 0 0 0 0 0 0
-16.2187 2.6057 -0.3728 C 0 0 0 0 0 0 0 0 0 0 0 0
-16.1055 4.0921 -0.4386 C 0 0 2 0 0 0 0 0 0 0 0 0
-16.8310 4.5221 -1.7311 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.7942 4.5393 -0.6165 O 0 0 0 0 0 0 0 0 0 0 0 0
-13.5083 -1.8531 1.0582 O 0 0 0 0 0 0 0 0 0 0 0 0
-14.4116 -2.1084 0.0209 C 0 0 2 0 0 0 0 0 0 0 0 0
-15.6515 -2.3067 0.6971 O 0 0 0 0 0 0 0 0 0 0 0 0
-15.9392 -3.6353 0.8891 C 0 0 1 0 0 0 0 0 0 0 0 0
-17.1778 -3.6865 1.7829 C 0 0 0 0 0 0 0 0 0 0 0 0
-16.9747 -3.0754 2.9997 O 0 0 0 0 0 0 0 0 0 0 0 0
-16.3980 -4.2088 -0.4536 C 0 0 1 0 0 0 0 0 0 0 0 0
-17.6230 -3.5818 -0.7246 O 0 0 0 0 0 0 0 0 0 0 0 0
-15.4270 -3.7334 -1.4982 C 0 0 2 0 0 0 0 0 0 0 0 0
-15.1399 -4.7185 -2.4453 O 0 0 0 0 0 0 0 0 0 0 0 0
-14.1233 -3.2471 -0.8640 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.3067 -2.8811 -1.9606 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7425 2.9606 -1.7078 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1298 3.6385 -0.5837 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7589 3.7374 0.5126 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8708 4.2160 -0.5886 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6671 3.6107 -1.0053 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0050 2.8221 0.0623 C 0 0 1 0 0 0 0 0 0 0 0 0
1.2655 2.3664 -0.2929 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5216 1.1652 0.4667 C 0 0 2 0 0 0 0 0 0 0 0 0
0.8430 0.2029 -0.1707 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1554 1.4286 1.9136 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.0977 1.1007 2.2977 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2871 2.9488 2.1200 C 0 0 2 0 0 0 0 0 0 0 0 0
1.1480 3.2525 3.4694 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0361 3.5127 1.4127 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.0521 3.2453 2.2048 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3722 0.3939 1.6537 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.1288 1.0001 1.7245 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5489 -0.7249 2.6156 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.7749 -0.6346 3.3112 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4270 -2.0941 2.0451 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.7073 -2.5809 1.7788 O 0 0 0 0 0 0 0 0 0 0 0 0
16.0564 -1.0645 -0.1241 O 0 0 0 0 0 0 0 0 0 0 0 0
16.2269 -2.3369 0.3410 C 0 0 2 0 0 0 0 0 0 0 0 0
17.5281 -2.4395 0.8863 O 0 0 0 0 0 0 0 0 0 0 0 0
17.4339 -3.3831 1.9039 C 0 0 2 0 0 0 0 0 0 0 0 0
18.7984 -3.6602 2.4837 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3028 -2.4633 2.9941 O 0 0 0 0 0 0 0 0 0 0 0 0
16.7689 -4.5993 1.3495 C 0 0 2 0 0 0 0 0 0 0 0 0
17.3867 -5.7758 1.7887 O 0 0 0 0 0 0 0 0 0 0 0 0
16.8228 -4.6418 -0.1760 C 0 0 2 0 0 0 0 0 0 0 0 0
18.1544 -4.7377 -0.5458 O 0 0 0 0 0 0 0 0 0 0 0 0
16.1927 -3.3843 -0.7697 C 0 0 2 0 0 0 0 0 0 0 0 0
17.0246 -2.9527 -1.7913 O 0 0 0 0 0 0 0 0 0 0 0 0
18.7541 1.1043 -0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0
18.6516 1.1567 -2.5653 H 0 0 0 0 0 0 0 0 0 0 0 0
17.1509 1.1520 -1.6442 H 0 0 0 0 0 0 0 0 0 0 0 0
18.8809 3.3739 -2.4673 H 0 0 0 0 0 0 0 0 0 0 0 0
19.6586 2.5963 -0.1956 H 0 0 0 0 0 0 0 0 0 0 0 0
16.5215 3.6072 -2.5554 H 0 0 0 0 0 0 0 0 0 0 0 0
17.3775 4.9572 -1.8543 H 0 0 0 0 0 0 0 0 0 0 0 0
15.2717 4.7645 -0.9294 H 0 0 0 0 0 0 0 0 0 0 0 0
16.4439 4.5128 0.3472 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8306 2.2752 -1.0005 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3630 3.2062 0.5058 H 0 0 0 0 0 0 0 0 0 0 0 0
16.0330 2.5567 1.8212 H 0 0 0 0 0 0 0 0 0 0 0 0
17.0624 1.7865 0.6668 H 0 0 0 0 0 0 0 0 0 0 0 0
16.1754 0.1781 1.9967 H 0 0 0 0 0 0 0 0 0 0 0 0
14.5846 0.9250 2.1295 H 0 0 0 0 0 0 0 0 0 0 0 0
14.5278 -1.2809 1.1418 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8395 -1.4307 -1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0
14.2842 0.1639 -1.5585 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0808 -0.8058 0.2659 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9254 -0.0645 -1.3318 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6338 1.5126 1.1833 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4894 2.1515 -0.5386 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5912 2.6247 0.7934 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3163 0.9102 1.2209 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0179 0.4773 -1.3026 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2170 2.2330 -1.5536 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0472 0.9329 0.2424 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3645 2.7008 0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4974 1.8179 -1.3237 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8282 2.4199 -2.4392 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6493 0.0594 -2.6231 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3914 -0.4450 -1.4715 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8240 -0.8286 -3.9804 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0288 0.9472 -4.1933 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1501 1.4191 -2.7849 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6335 0.3086 -4.0574 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8406 -1.6317 -2.4814 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3861 -0.4717 -1.1704 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8224 -0.5820 -2.8259 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2036 0.7670 -1.6514 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8538 -2.2416 -1.2128 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4276 -1.2448 0.1106 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7656 -1.3758 -1.3765 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8926 -2.6813 0.7797 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7607 -1.6137 1.5938 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9485 -0.9210 0.1942 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9660 -1.5428 1.9522 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7762 -3.0338 0.2873 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8657 0.0059 0.2537 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9217 1.3921 -2.3948 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0615 3.6336 -1.6618 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8732 3.1268 -0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6172 1.5303 -0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0305 3.1155 -0.6559 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2800 2.5435 -2.9143 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2378 1.5770 -1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4501 0.5593 -3.9179 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7985 0.2886 -3.2272 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9644 -1.6461 -3.1893 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4604 -0.9899 -2.5186 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7229 -1.5745 -1.2893 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9710 -0.6537 -0.3388 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8719 -3.4210 -1.6099 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8614 -3.1498 0.1182 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9620 -4.1090 -0.7398 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2951 -2.6876 -1.8079 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.6464 -2.8540 0.2251 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2316 -2.6192 1.2932 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7531 -0.4709 0.6379 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9741 -0.4877 -0.7638 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.4969 0.8482 1.2267 H 0 0 0 0 0 0 0 0 0 0 0 0
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M END
PDB for NP0003622 (Fattiviracin FV-8)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 18.155 1.572 -1.648 0.00 0.00 C+0 HETATM 2 C UNK 0 18.267 3.050 -1.553 0.00 0.00 C+0 HETATM 3 O UNK 0 19.138 3.405 -0.481 0.00 0.00 O+0 HETATM 4 C UNK 0 17.070 3.876 -1.547 0.00 0.00 C+0 HETATM 5 C UNK 0 16.013 3.942 -0.563 0.00 0.00 C+0 HETATM 6 C UNK 0 15.231 2.778 -0.083 0.00 0.00 C+0 HETATM 7 C UNK 0 15.968 1.892 0.825 0.00 0.00 C+0 HETATM 8 C UNK 0 15.329 0.660 1.338 0.00 0.00 C+0 HETATM 9 C UNK 0 14.910 -0.419 0.453 0.00 0.00 C+0 HETATM 10 C UNK 0 13.925 -0.326 -0.613 0.00 0.00 C+0 HETATM 11 C UNK 0 12.519 0.039 -0.356 0.00 0.00 C+0 HETATM 12 C UNK 0 12.178 1.361 0.191 0.00 0.00 C+0 HETATM 13 C UNK 0 10.682 1.580 0.425 0.00 0.00 C+0 HETATM 14 C UNK 0 9.862 1.467 -0.845 0.00 0.00 C+0 HETATM 15 C UNK 0 8.435 1.726 -0.465 0.00 0.00 C+0 HETATM 16 C UNK 0 7.545 1.657 -1.668 0.00 0.00 C+0 HETATM 17 C UNK 0 7.614 0.289 -2.280 0.00 0.00 C+0 HETATM 18 C UNK 0 6.719 0.136 -3.486 0.00 0.00 C+0 HETATM 19 C UNK 0 5.284 0.365 -3.154 0.00 0.00 C+0 HETATM 20 C UNK 0 4.793 -0.594 -2.098 0.00 0.00 C+0 HETATM 21 C UNK 0 3.317 -0.300 -1.853 0.00 0.00 C+0 HETATM 22 C UNK 0 2.761 -1.187 -0.794 0.00 0.00 C+0 HETATM 23 C UNK 0 1.333 -1.014 -0.453 0.00 0.00 C+0 HETATM 24 C UNK 0 0.976 -2.053 0.623 0.00 0.00 C+0 HETATM 25 C UNK 0 -0.145 -2.888 0.123 0.00 0.00 C+0 HETATM 26 O UNK 0 0.173 -3.692 -0.820 0.00 0.00 O+0 HETATM 27 O UNK 0 -1.434 -2.888 0.551 0.00 0.00 O+0 HETATM 28 C UNK 0 -2.215 -1.755 0.877 0.00 0.00 C+0 HETATM 29 C UNK 0 -3.704 -1.978 0.710 0.00 0.00 C+0 HETATM 30 O UNK 0 -4.314 -1.174 -0.185 0.00 0.00 O+0 HETATM 31 C UNK 0 -4.761 0.073 0.225 0.00 0.00 C+0 HETATM 32 O UNK 0 -4.267 0.983 -0.593 0.00 0.00 O+0 HETATM 33 C UNK 0 -4.822 1.912 -1.328 0.00 0.00 C+0 HETATM 34 C UNK 0 -6.043 2.625 -1.048 0.00 0.00 C+0 HETATM 35 C UNK 0 -7.426 2.155 -0.977 0.00 0.00 C+0 HETATM 36 C UNK 0 -8.112 1.654 -2.165 0.00 0.00 C+0 HETATM 37 C UNK 0 -7.886 0.426 -2.906 0.00 0.00 C+0 HETATM 38 C UNK 0 -8.334 -0.893 -2.421 0.00 0.00 C+0 HETATM 39 C UNK 0 -7.849 -1.381 -1.116 0.00 0.00 C+0 HETATM 40 C UNK 0 -8.392 -2.740 -0.830 0.00 0.00 C+0 HETATM 41 C UNK 0 -9.817 -2.966 -0.784 0.00 0.00 C+0 HETATM 42 C UNK 0 -10.657 -2.334 0.240 0.00 0.00 C+0 HETATM 43 C UNK 0 -10.741 -0.866 0.237 0.00 0.00 C+0 HETATM 44 C UNK 0 -11.715 -0.272 1.247 0.00 0.00 C+0 HETATM 45 C UNK 0 -13.139 -0.530 1.093 0.00 0.00 C+0 HETATM 46 C UNK 0 -13.853 0.164 2.272 0.00 0.00 C+0 HETATM 47 C UNK 0 -13.624 1.630 2.289 0.00 0.00 C+0 HETATM 48 C UNK 0 -14.117 2.291 1.009 0.00 0.00 C+0 HETATM 49 C UNK 0 -15.576 2.042 0.844 0.00 0.00 C+0 HETATM 50 C UNK 0 -16.219 2.606 -0.373 0.00 0.00 C+0 HETATM 51 C UNK 0 -16.105 4.092 -0.439 0.00 0.00 C+0 HETATM 52 C UNK 0 -16.831 4.522 -1.731 0.00 0.00 C+0 HETATM 53 O UNK 0 -14.794 4.539 -0.617 0.00 0.00 O+0 HETATM 54 O UNK 0 -13.508 -1.853 1.058 0.00 0.00 O+0 HETATM 55 C UNK 0 -14.412 -2.108 0.021 0.00 0.00 C+0 HETATM 56 O UNK 0 -15.652 -2.307 0.697 0.00 0.00 O+0 HETATM 57 C UNK 0 -15.939 -3.635 0.889 0.00 0.00 C+0 HETATM 58 C UNK 0 -17.178 -3.687 1.783 0.00 0.00 C+0 HETATM 59 O UNK 0 -16.975 -3.075 3.000 0.00 0.00 O+0 HETATM 60 C UNK 0 -16.398 -4.209 -0.454 0.00 0.00 C+0 HETATM 61 O UNK 0 -17.623 -3.582 -0.725 0.00 0.00 O+0 HETATM 62 C UNK 0 -15.427 -3.733 -1.498 0.00 0.00 C+0 HETATM 63 O UNK 0 -15.140 -4.718 -2.445 0.00 0.00 O+0 HETATM 64 C UNK 0 -14.123 -3.247 -0.864 0.00 0.00 C+0 HETATM 65 O UNK 0 -13.307 -2.881 -1.961 0.00 0.00 O+0 HETATM 66 C UNK 0 -3.743 2.961 -1.708 0.00 0.00 C+0 HETATM 67 C UNK 0 -3.130 3.639 -0.584 0.00 0.00 C+0 HETATM 68 O UNK 0 -3.759 3.737 0.513 0.00 0.00 O+0 HETATM 69 O UNK 0 -1.871 4.216 -0.589 0.00 0.00 O+0 HETATM 70 C UNK 0 -0.667 3.611 -1.005 0.00 0.00 C+0 HETATM 71 C UNK 0 -0.005 2.822 0.062 0.00 0.00 C+0 HETATM 72 O UNK 0 1.266 2.366 -0.293 0.00 0.00 O+0 HETATM 73 C UNK 0 1.522 1.165 0.467 0.00 0.00 C+0 HETATM 74 O UNK 0 0.843 0.203 -0.171 0.00 0.00 O+0 HETATM 75 C UNK 0 1.155 1.429 1.914 0.00 0.00 C+0 HETATM 76 O UNK 0 -0.098 1.101 2.298 0.00 0.00 O+0 HETATM 77 C UNK 0 1.287 2.949 2.120 0.00 0.00 C+0 HETATM 78 O UNK 0 1.148 3.252 3.469 0.00 0.00 O+0 HETATM 79 C UNK 0 0.036 3.513 1.413 0.00 0.00 C+0 HETATM 80 O UNK 0 -1.052 3.245 2.205 0.00 0.00 O+0 HETATM 81 C UNK 0 -4.372 0.394 1.654 0.00 0.00 C+0 HETATM 82 O UNK 0 -3.129 1.000 1.724 0.00 0.00 O+0 HETATM 83 C UNK 0 -4.549 -0.725 2.616 0.00 0.00 C+0 HETATM 84 O UNK 0 -5.775 -0.635 3.311 0.00 0.00 O+0 HETATM 85 C UNK 0 -4.427 -2.094 2.045 0.00 0.00 C+0 HETATM 86 O UNK 0 -5.707 -2.581 1.779 0.00 0.00 O+0 HETATM 87 O UNK 0 16.056 -1.065 -0.124 0.00 0.00 O+0 HETATM 88 C UNK 0 16.227 -2.337 0.341 0.00 0.00 C+0 HETATM 89 O UNK 0 17.528 -2.439 0.886 0.00 0.00 O+0 HETATM 90 C UNK 0 17.434 -3.383 1.904 0.00 0.00 C+0 HETATM 91 C UNK 0 18.798 -3.660 2.484 0.00 0.00 C+0 HETATM 92 O UNK 0 19.303 -2.463 2.994 0.00 0.00 O+0 HETATM 93 C UNK 0 16.769 -4.599 1.349 0.00 0.00 C+0 HETATM 94 O UNK 0 17.387 -5.776 1.789 0.00 0.00 O+0 HETATM 95 C UNK 0 16.823 -4.642 -0.176 0.00 0.00 C+0 HETATM 96 O UNK 0 18.154 -4.738 -0.546 0.00 0.00 O+0 HETATM 97 C UNK 0 16.193 -3.384 -0.770 0.00 0.00 C+0 HETATM 98 O UNK 0 17.025 -2.953 -1.791 0.00 0.00 O+0 HETATM 99 H UNK 0 18.754 1.104 -0.811 0.00 0.00 H+0 HETATM 100 H UNK 0 18.652 1.157 -2.565 0.00 0.00 H+0 HETATM 101 H UNK 0 17.151 1.152 -1.644 0.00 0.00 H+0 HETATM 102 H UNK 0 18.881 3.374 -2.467 0.00 0.00 H+0 HETATM 103 H UNK 0 19.659 2.596 -0.196 0.00 0.00 H+0 HETATM 104 H UNK 0 16.521 3.607 -2.555 0.00 0.00 H+0 HETATM 105 H UNK 0 17.378 4.957 -1.854 0.00 0.00 H+0 HETATM 106 H UNK 0 15.272 4.765 -0.929 0.00 0.00 H+0 HETATM 107 H UNK 0 16.444 4.513 0.347 0.00 0.00 H+0 HETATM 108 H UNK 0 14.831 2.275 -1.000 0.00 0.00 H+0 HETATM 109 H UNK 0 14.363 3.206 0.506 0.00 0.00 H+0 HETATM 110 H UNK 0 16.033 2.557 1.821 0.00 0.00 H+0 HETATM 111 H UNK 0 17.062 1.787 0.667 0.00 0.00 H+0 HETATM 112 H UNK 0 16.175 0.178 1.997 0.00 0.00 H+0 HETATM 113 H UNK 0 14.585 0.925 2.130 0.00 0.00 H+0 HETATM 114 H UNK 0 14.528 -1.281 1.142 0.00 0.00 H+0 HETATM 115 H UNK 0 13.839 -1.431 -1.015 0.00 0.00 H+0 HETATM 116 H UNK 0 14.284 0.164 -1.559 0.00 0.00 H+0 HETATM 117 H UNK 0 12.081 -0.806 0.266 0.00 0.00 H+0 HETATM 118 H UNK 0 11.925 -0.065 -1.332 0.00 0.00 H+0 HETATM 119 H UNK 0 12.634 1.513 1.183 0.00 0.00 H+0 HETATM 120 H UNK 0 12.489 2.151 -0.539 0.00 0.00 H+0 HETATM 121 H UNK 0 10.591 2.625 0.793 0.00 0.00 H+0 HETATM 122 H UNK 0 10.316 0.910 1.221 0.00 0.00 H+0 HETATM 123 H UNK 0 10.018 0.477 -1.303 0.00 0.00 H+0 HETATM 124 H UNK 0 10.217 2.233 -1.554 0.00 0.00 H+0 HETATM 125 H UNK 0 8.047 0.933 0.242 0.00 0.00 H+0 HETATM 126 H UNK 0 8.364 2.701 0.064 0.00 0.00 H+0 HETATM 127 H UNK 0 6.497 1.818 -1.324 0.00 0.00 H+0 HETATM 128 H UNK 0 7.828 2.420 -2.439 0.00 0.00 H+0 HETATM 129 H UNK 0 8.649 0.059 -2.623 0.00 0.00 H+0 HETATM 130 H UNK 0 7.391 -0.445 -1.472 0.00 0.00 H+0 HETATM 131 H UNK 0 6.824 -0.829 -3.980 0.00 0.00 H+0 HETATM 132 H UNK 0 7.029 0.947 -4.193 0.00 0.00 H+0 HETATM 133 H UNK 0 5.150 1.419 -2.785 0.00 0.00 H+0 HETATM 134 H UNK 0 4.633 0.309 -4.057 0.00 0.00 H+0 HETATM 135 H UNK 0 4.841 -1.632 -2.481 0.00 0.00 H+0 HETATM 136 H UNK 0 5.386 -0.472 -1.170 0.00 0.00 H+0 HETATM 137 H UNK 0 2.822 -0.582 -2.826 0.00 0.00 H+0 HETATM 138 H UNK 0 3.204 0.767 -1.651 0.00 0.00 H+0 HETATM 139 H UNK 0 2.854 -2.242 -1.213 0.00 0.00 H+0 HETATM 140 H UNK 0 3.428 -1.245 0.111 0.00 0.00 H+0 HETATM 141 H UNK 0 0.766 -1.376 -1.377 0.00 0.00 H+0 HETATM 142 H UNK 0 1.893 -2.681 0.780 0.00 0.00 H+0 HETATM 143 H UNK 0 0.761 -1.614 1.594 0.00 0.00 H+0 HETATM 144 H UNK 0 -1.948 -0.921 0.194 0.00 0.00 H+0 HETATM 145 H UNK 0 -1.966 -1.543 1.952 0.00 0.00 H+0 HETATM 146 H UNK 0 -3.776 -3.034 0.287 0.00 0.00 H+0 HETATM 147 H UNK 0 -5.866 0.006 0.254 0.00 0.00 H+0 HETATM 148 H UNK 0 -4.922 1.392 -2.395 0.00 0.00 H+0 HETATM 149 H UNK 0 -6.061 3.634 -1.662 0.00 0.00 H+0 HETATM 150 H UNK 0 -5.873 3.127 0.000 0.00 0.00 H+0 HETATM 151 H UNK 0 -7.617 1.530 -0.069 0.00 0.00 H+0 HETATM 152 H UNK 0 -8.030 3.115 -0.656 0.00 0.00 H+0 HETATM 153 H UNK 0 -8.280 2.543 -2.914 0.00 0.00 H+0 HETATM 154 H UNK 0 -9.238 1.577 -1.825 0.00 0.00 H+0 HETATM 155 H UNK 0 -8.450 0.559 -3.918 0.00 0.00 H+0 HETATM 156 H UNK 0 -6.798 0.289 -3.227 0.00 0.00 H+0 HETATM 157 H UNK 0 -7.964 -1.646 -3.189 0.00 0.00 H+0 HETATM 158 H UNK 0 -9.460 -0.990 -2.519 0.00 0.00 H+0 HETATM 159 H UNK 0 -6.723 -1.575 -1.289 0.00 0.00 H+0 HETATM 160 H UNK 0 -7.971 -0.654 -0.339 0.00 0.00 H+0 HETATM 161 H UNK 0 -7.872 -3.421 -1.610 0.00 0.00 H+0 HETATM 162 H UNK 0 -7.861 -3.150 0.118 0.00 0.00 H+0 HETATM 163 H UNK 0 -9.962 -4.109 -0.740 0.00 0.00 H+0 HETATM 164 H UNK 0 -10.295 -2.688 -1.808 0.00 0.00 H+0 HETATM 165 H UNK 0 -11.646 -2.854 0.225 0.00 0.00 H+0 HETATM 166 H UNK 0 -10.232 -2.619 1.293 0.00 0.00 H+0 HETATM 167 H UNK 0 -9.753 -0.471 0.638 0.00 0.00 H+0 HETATM 168 H UNK 0 -10.974 -0.488 -0.764 0.00 0.00 H+0 HETATM 169 H UNK 0 -11.497 0.848 1.227 0.00 0.00 H+0 HETATM 170 H UNK 0 -11.338 -0.560 2.284 0.00 0.00 H+0 HETATM 171 H UNK 0 -13.544 0.019 0.184 0.00 0.00 H+0 HETATM 172 H UNK 0 -14.899 -0.118 2.346 0.00 0.00 H+0 HETATM 173 H UNK 0 -13.352 -0.286 3.183 0.00 0.00 H+0 HETATM 174 H UNK 0 -12.569 1.927 2.434 0.00 0.00 H+0 HETATM 175 H UNK 0 -14.228 2.125 3.111 0.00 0.00 H+0 HETATM 176 H UNK 0 -13.549 1.987 0.119 0.00 0.00 H+0 HETATM 177 H UNK 0 -13.915 3.397 1.111 0.00 0.00 H+0 HETATM 178 H UNK 0 -15.810 0.937 0.902 0.00 0.00 H+0 HETATM 179 H UNK 0 -16.136 2.466 1.724 0.00 0.00 H+0 HETATM 180 H UNK 0 -15.868 2.115 -1.317 0.00 0.00 H+0 HETATM 181 H UNK 0 -17.309 2.353 -0.312 0.00 0.00 H+0 HETATM 182 H UNK 0 -16.574 4.548 0.448 0.00 0.00 H+0 HETATM 183 H UNK 0 -16.452 3.841 -2.520 0.00 0.00 H+0 HETATM 184 H UNK 0 -17.910 4.412 -1.528 0.00 0.00 H+0 HETATM 185 H UNK 0 -16.525 5.550 -1.944 0.00 0.00 H+0 HETATM 186 H UNK 0 -14.757 5.339 -1.216 0.00 0.00 H+0 HETATM 187 H UNK 0 -14.621 -1.194 -0.597 0.00 0.00 H+0 HETATM 188 H UNK 0 -15.144 -4.233 1.343 0.00 0.00 H+0 HETATM 189 H UNK 0 -17.519 -4.731 1.908 0.00 0.00 H+0 HETATM 190 H UNK 0 -17.992 -3.173 1.214 0.00 0.00 H+0 HETATM 191 H UNK 0 -16.072 -3.369 3.322 0.00 0.00 H+0 HETATM 192 H UNK 0 -16.499 -5.303 -0.404 0.00 0.00 H+0 HETATM 193 H UNK 0 -18.057 -3.966 -1.524 0.00 0.00 H+0 HETATM 194 H UNK 0 -15.816 -2.848 -2.066 0.00 0.00 H+0 HETATM 195 H UNK 0 -15.473 -4.494 -3.338 0.00 0.00 H+0 HETATM 196 H UNK 0 -13.629 -4.101 -0.316 0.00 0.00 H+0 HETATM 197 H UNK 0 -13.214 -3.730 -2.493 0.00 0.00 H+0 HETATM 198 H UNK 0 -3.011 2.530 -2.426 0.00 0.00 H+0 HETATM 199 H UNK 0 -4.308 3.726 -2.308 0.00 0.00 H+0 HETATM 200 H UNK 0 -0.932 3.001 -1.898 0.00 0.00 H+0 HETATM 201 H UNK 0 -0.012 4.425 -1.392 0.00 0.00 H+0 HETATM 202 H UNK 0 -0.613 1.896 0.193 0.00 0.00 H+0 HETATM 203 H UNK 0 2.629 1.109 0.483 0.00 0.00 H+0 HETATM 204 H UNK 0 1.923 0.996 2.620 0.00 0.00 H+0 HETATM 205 H UNK 0 -0.513 0.308 1.961 0.00 0.00 H+0 HETATM 206 H UNK 0 2.210 3.348 1.704 0.00 0.00 H+0 HETATM 207 H UNK 0 1.482 2.523 4.038 0.00 0.00 H+0 HETATM 208 H UNK 0 0.123 4.613 1.293 0.00 0.00 H+0 HETATM 209 H UNK 0 -0.855 3.170 3.167 0.00 0.00 H+0 HETATM 210 H UNK 0 -5.094 1.204 1.983 0.00 0.00 H+0 HETATM 211 H UNK 0 -2.780 1.188 0.824 0.00 0.00 H+0 HETATM 212 H UNK 0 -3.760 -0.592 3.416 0.00 0.00 H+0 HETATM 213 H UNK 0 -5.656 0.098 3.979 0.00 0.00 H+0 HETATM 214 H UNK 0 -3.838 -2.802 2.659 0.00 0.00 H+0 HETATM 215 H UNK 0 -6.206 -2.604 2.630 0.00 0.00 H+0 HETATM 216 H UNK 0 15.469 -2.664 1.079 0.00 0.00 H+0 HETATM 217 H UNK 0 16.820 -2.960 2.743 0.00 0.00 H+0 HETATM 218 H UNK 0 19.481 -4.041 1.705 0.00 0.00 H+0 HETATM 219 H UNK 0 18.749 -4.362 3.333 0.00 0.00 H+0 HETATM 220 H UNK 0 19.863 -1.996 2.307 0.00 0.00 H+0 HETATM 221 H UNK 0 15.698 -4.640 1.641 0.00 0.00 H+0 HETATM 222 H UNK 0 17.257 -5.942 2.743 0.00 0.00 H+0 HETATM 223 H UNK 0 16.270 -5.541 -0.489 0.00 0.00 H+0 HETATM 224 H UNK 0 18.286 -4.768 -1.518 0.00 0.00 H+0 HETATM 225 H UNK 0 15.166 -3.597 -1.093 0.00 0.00 H+0 HETATM 226 H UNK 0 16.619 -2.248 -2.344 0.00 0.00 H+0 CONECT 1 2 99 100 101 CONECT 2 1 3 4 102 CONECT 3 2 103 CONECT 4 2 5 104 105 CONECT 5 4 6 106 107 CONECT 6 5 7 108 109 CONECT 7 6 8 110 111 CONECT 8 7 9 112 113 CONECT 9 8 10 87 114 CONECT 10 9 11 115 116 CONECT 11 10 12 117 118 CONECT 12 11 13 119 120 CONECT 13 12 14 121 122 CONECT 14 13 15 123 124 CONECT 15 14 16 125 126 CONECT 16 15 17 127 128 CONECT 17 16 18 129 130 CONECT 18 17 19 131 132 CONECT 19 18 20 133 134 CONECT 20 19 21 135 136 CONECT 21 20 22 137 138 CONECT 22 21 23 139 140 CONECT 23 22 24 74 141 CONECT 24 23 25 142 143 CONECT 25 24 26 27 CONECT 26 25 CONECT 27 25 28 CONECT 28 27 29 144 145 CONECT 29 28 30 85 146 CONECT 30 29 31 CONECT 31 30 32 81 147 CONECT 32 31 33 CONECT 33 32 34 66 148 CONECT 34 33 35 149 150 CONECT 35 34 36 151 152 CONECT 36 35 37 153 154 CONECT 37 36 38 155 156 CONECT 38 37 39 157 158 CONECT 39 38 40 159 160 CONECT 40 39 41 161 162 CONECT 41 40 42 163 164 CONECT 42 41 43 165 166 CONECT 43 42 44 167 168 CONECT 44 43 45 169 170 CONECT 45 44 46 54 171 CONECT 46 45 47 172 173 CONECT 47 46 48 174 175 CONECT 48 47 49 176 177 CONECT 49 48 50 178 179 CONECT 50 49 51 180 181 CONECT 51 50 52 53 182 CONECT 52 51 183 184 185 CONECT 53 51 186 CONECT 54 45 55 CONECT 55 54 56 64 187 CONECT 56 55 57 CONECT 57 56 58 60 188 CONECT 58 57 59 189 190 CONECT 59 58 191 CONECT 60 57 61 62 192 CONECT 61 60 193 CONECT 62 60 63 64 194 CONECT 63 62 195 CONECT 64 62 65 55 196 CONECT 65 64 197 CONECT 66 33 67 198 199 CONECT 67 66 68 69 CONECT 68 67 CONECT 69 67 70 CONECT 70 69 71 200 201 CONECT 71 70 72 79 202 CONECT 72 71 73 CONECT 73 72 74 75 203 CONECT 74 73 23 CONECT 75 73 76 77 204 CONECT 76 75 205 CONECT 77 75 78 79 206 CONECT 78 77 207 CONECT 79 77 80 71 208 CONECT 80 79 209 CONECT 81 31 82 83 210 CONECT 82 81 211 CONECT 83 81 84 85 212 CONECT 84 83 213 CONECT 85 83 86 29 214 CONECT 86 85 215 CONECT 87 9 88 CONECT 88 87 89 97 216 CONECT 89 88 90 CONECT 90 89 91 93 217 CONECT 91 90 92 218 219 CONECT 92 91 220 CONECT 93 90 94 95 221 CONECT 94 93 222 CONECT 95 93 96 97 223 CONECT 96 95 224 CONECT 97 95 98 88 225 CONECT 98 97 226 CONECT 99 1 CONECT 100 1 CONECT 101 1 CONECT 102 2 CONECT 103 3 CONECT 104 4 CONECT 105 4 CONECT 106 5 CONECT 107 5 CONECT 108 6 CONECT 109 6 CONECT 110 7 CONECT 111 7 CONECT 112 8 CONECT 113 8 CONECT 114 9 CONECT 115 10 CONECT 116 10 CONECT 117 11 CONECT 118 11 CONECT 119 12 CONECT 120 12 CONECT 121 13 CONECT 122 13 CONECT 123 14 CONECT 124 14 CONECT 125 15 CONECT 126 15 CONECT 127 16 CONECT 128 16 CONECT 129 17 CONECT 130 17 CONECT 131 18 CONECT 132 18 CONECT 133 19 CONECT 134 19 CONECT 135 20 CONECT 136 20 CONECT 137 21 CONECT 138 21 CONECT 139 22 CONECT 140 22 CONECT 141 23 CONECT 142 24 CONECT 143 24 CONECT 144 28 CONECT 145 28 CONECT 146 29 CONECT 147 31 CONECT 148 33 CONECT 149 34 CONECT 150 34 CONECT 151 35 CONECT 152 35 CONECT 153 36 CONECT 154 36 CONECT 155 37 CONECT 156 37 CONECT 157 38 CONECT 158 38 CONECT 159 39 CONECT 160 39 CONECT 161 40 CONECT 162 40 CONECT 163 41 CONECT 164 41 CONECT 165 42 CONECT 166 42 CONECT 167 43 CONECT 168 43 CONECT 169 44 CONECT 170 44 CONECT 171 45 CONECT 172 46 CONECT 173 46 CONECT 174 47 CONECT 175 47 CONECT 176 48 CONECT 177 48 CONECT 178 49 CONECT 179 49 CONECT 180 50 CONECT 181 50 CONECT 182 51 CONECT 183 52 CONECT 184 52 CONECT 185 52 CONECT 186 53 CONECT 187 55 CONECT 188 57 CONECT 189 58 CONECT 190 58 CONECT 191 59 CONECT 192 60 CONECT 193 61 CONECT 194 62 CONECT 195 63 CONECT 196 64 CONECT 197 65 CONECT 198 66 CONECT 199 66 CONECT 200 70 CONECT 201 70 CONECT 202 71 CONECT 203 73 CONECT 204 75 CONECT 205 76 CONECT 206 77 CONECT 207 78 CONECT 208 79 CONECT 209 80 CONECT 210 81 CONECT 211 82 CONECT 212 83 CONECT 213 84 CONECT 214 85 CONECT 215 86 CONECT 216 88 CONECT 217 90 CONECT 218 91 CONECT 219 91 CONECT 220 92 CONECT 221 93 CONECT 222 94 CONECT 223 95 CONECT 224 96 CONECT 225 97 CONECT 226 98 MASTER 0 0 0 0 0 0 0 0 226 0 460 0 END SMILES for NP0003622 (Fattiviracin FV-8)[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])(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])(O[H])C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H] INCHI for NP0003622 (Fattiviracin FV-8)InChI=1S/C70H128O28/c1-43(73)29-21-19-27-33-45(91-67-63(85)59(81)55(77)49(39-71)95-67)31-23-15-11-7-4-3-5-8-13-17-25-35-47-37-53(75)89-41-52-58(80)62(84)66(88)70(98-52)94-48(38-54(76)90-42-51-57(79)61(83)65(87)69(93-47)97-51)36-26-18-14-10-6-9-12-16-24-32-46(34-28-20-22-30-44(2)74)92-68-64(86)60(82)56(78)50(40-72)96-68/h43-52,55-74,77-88H,3-42H2,1-2H3/t43-,44-,45+,46+,47-,48-,49+,50-,51+,52-,55-,56+,57+,58-,59-,60-,61+,62-,63-,64+,65+,66+,67+,68+,69-,70-/m0/s1 3D Structure for NP0003622 (Fattiviracin FV-8) | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C70H128O28 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1417.7660 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1416.85921 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (1S,3S,8R,9S,10R,11R,12S,14S,19S,20R,21S,22R)-9,10,11,20,21,22-hexahydroxy-3-[(12R,18S)-18-hydroxy-12-{[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}nonadecyl]-14-[(14R,20S)-20-hydroxy-14-{[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}henicosyl]-2,6,13,17,23,24-hexaoxatricyclo[17.3.1.1^{8,12}]tetracosane-5,16-dione | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (1S,3S,8R,9S,10R,11R,12S,14S,19S,20R,21S,22R)-9,10,11,20,21,22-hexahydroxy-3-[(12R,18S)-18-hydroxy-12-{[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}nonadecyl]-14-[(14R,20S)-20-hydroxy-14-{[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}henicosyl]-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)CCCCCC(CCCCCCCCCCCCCC1CC(=O)OCC2OC(OC(CCCCCCCCCCCC(CCCCCC(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/C70H128O28/c1-43(73)29-21-19-27-33-45(91-67-63(85)59(81)55(77)49(39-71)95-67)31-23-15-11-7-4-3-5-8-13-17-25-35-47-37-53(75)89-41-52-58(80)62(84)66(88)70(98-52)94-48(38-54(76)90-42-51-57(79)61(83)65(87)69(93-47)97-51)36-26-18-14-10-6-9-12-16-24-32-46(34-28-20-22-30-44(2)74)92-68-64(86)60(82)56(78)50(40-72)96-68/h43-52,55-74,77-88H,3-42H2,1-2H3 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | AHOFUQPZFBOVJX-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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Belongs to the class of organic compounds known as saccharolipids. Saccharolipids are compounds in which fatty acids are linked directly to a sugar backbone, forming structures that are compatible with membrane bilayers. In the saccharolipids, a sugar substitutes for the glycerol backbone that is present in glycerolipids and glycerophospholipids. The most familiar saccharolipids contain an acylated glucosamine. In contrast to others glycolipids, the fatty acid is not glycosidically linked to the sugar moiety. | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Kingdom | Organic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Super Class | Lipids and lipid-like molecules | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Class | Saccharolipids | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Sub Class | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Direct Parent | Saccharolipids | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Alternative Parents |
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| Substituents |
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| Molecular Framework | Aliphatic heteropolycyclic 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 | NPA003892 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 78443965 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 78413061 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | ||||||||||||||||||||||||||||||||||||||||||||||||||||
