Showing NP-Card for Fattiviracin FV-4 (NP0003621)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2020-12-09 00:49:10 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 16:46:55 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0003621 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Fattiviracin FV-4 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Fattiviracin FV-4 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-3,14-bis(18-hydroxy-12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}nonadecyl)-2,6,13,17,23,24-hexaoxatricyclo[17.3.1.1⁸,¹²]Tetracosane-5,16-dione. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0003621 (Fattiviracin FV-4)
Mrv1652307012117103D
220224 0 0 0 0 999 V2000
13.4475 5.9321 1.8368 C 0 0 0 0 0 0 0 0 0 0 0 0
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21135 1 1 0 0 0
22136 1 0 0 0 0
22137 1 0 0 0 0
26138 1 0 0 0 0
26139 1 0 0 0 0
27140 1 6 0 0 0
29141 1 6 0 0 0
31142 1 6 0 0 0
32143 1 0 0 0 0
32144 1 0 0 0 0
33145 1 0 0 0 0
33146 1 0 0 0 0
34147 1 0 0 0 0
34148 1 0 0 0 0
35149 1 0 0 0 0
35150 1 0 0 0 0
36151 1 0 0 0 0
36152 1 0 0 0 0
37153 1 0 0 0 0
37154 1 0 0 0 0
38155 1 0 0 0 0
38156 1 0 0 0 0
39157 1 0 0 0 0
39158 1 0 0 0 0
40159 1 0 0 0 0
40160 1 0 0 0 0
41161 1 0 0 0 0
41162 1 0 0 0 0
42163 1 0 0 0 0
42164 1 0 0 0 0
43165 1 1 0 0 0
44166 1 0 0 0 0
44167 1 0 0 0 0
45168 1 0 0 0 0
45169 1 0 0 0 0
46170 1 0 0 0 0
46171 1 0 0 0 0
47172 1 0 0 0 0
47173 1 0 0 0 0
48174 1 0 0 0 0
48175 1 0 0 0 0
49176 1 1 0 0 0
50177 1 0 0 0 0
50178 1 0 0 0 0
50179 1 0 0 0 0
51180 1 0 0 0 0
53181 1 1 0 0 0
55182 1 6 0 0 0
56183 1 0 0 0 0
56184 1 0 0 0 0
57185 1 0 0 0 0
58186 1 6 0 0 0
59187 1 0 0 0 0
60188 1 1 0 0 0
61189 1 0 0 0 0
62190 1 6 0 0 0
63191 1 0 0 0 0
64192 1 0 0 0 0
64193 1 0 0 0 0
68194 1 0 0 0 0
68195 1 0 0 0 0
69196 1 1 0 0 0
71197 1 6 0 0 0
73198 1 1 0 0 0
74199 1 0 0 0 0
75200 1 1 0 0 0
76201 1 0 0 0 0
77202 1 6 0 0 0
78203 1 0 0 0 0
79204 1 1 0 0 0
80205 1 0 0 0 0
81206 1 6 0 0 0
82207 1 0 0 0 0
83208 1 6 0 0 0
84209 1 0 0 0 0
86210 1 1 0 0 0
88211 1 1 0 0 0
89212 1 0 0 0 0
89213 1 0 0 0 0
90214 1 0 0 0 0
91215 1 6 0 0 0
92216 1 0 0 0 0
93217 1 6 0 0 0
94218 1 0 0 0 0
95219 1 6 0 0 0
96220 1 0 0 0 0
M END
3D MOL for NP0003621 (Fattiviracin FV-4)
RDKit 3D
220224 0 0 0 0 0 0 0 0999 V2000
13.4475 5.9321 1.8368 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0934 5.4381 1.4446 C 0 0 2 0 0 0 0 0 0 0 0 0
11.1300 5.6682 2.4141 O 0 0 0 0 0 0 0 0 0 0 0 0
12.1994 3.9648 1.0992 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1679 3.8501 -0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3988 2.4615 -0.5436 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.9848 -1.8503 2.4777 C 0 0 0 0 0 0 0 0 0 0 0 0
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7.1678 0.1456 0.9391 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6009 1.0736 -0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4678 1.9558 0.2114 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0984 1.4693 0.5068 C 0 0 2 0 0 0 0 0 0 0 0 0
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3.2757 2.6225 0.6726 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7671 2.8581 2.9624 C 0 0 2 0 0 0 0 0 0 0 0 0
4.1490 2.8108 3.1156 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2083 2.0652 4.1224 C 0 0 2 0 0 0 0 0 0 0 0 0
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14.0401 5.2380 2.4525 H 0 0 0 0 0 0 0 0 0 0 0 0
14.0896 6.2064 0.9639 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8320 5.9497 0.4749 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8972 6.6417 2.3343 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2173 3.5326 0.8508 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5687 3.4590 1.9997 H 0 0 0 0 0 0 0 0 0 0 0 0
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50178 1 0
50179 1 0
51180 1 0
53181 1 1
55182 1 6
56183 1 0
56184 1 0
57185 1 0
58186 1 6
59187 1 0
60188 1 1
61189 1 0
62190 1 6
63191 1 0
64192 1 0
64193 1 0
68194 1 0
68195 1 0
69196 1 1
71197 1 6
73198 1 1
74199 1 0
75200 1 1
76201 1 0
77202 1 6
78203 1 0
79204 1 1
80205 1 0
81206 1 6
82207 1 0
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84209 1 0
86210 1 1
88211 1 1
89212 1 0
89213 1 0
90214 1 0
91215 1 6
92216 1 0
93217 1 6
94218 1 0
95219 1 6
96220 1 0
M END
3D SDF for NP0003621 (Fattiviracin FV-4)
Mrv1652307012117103D
220224 0 0 0 0 999 V2000
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48175 1 0 0 0 0
49176 1 1 0 0 0
50177 1 0 0 0 0
50178 1 0 0 0 0
50179 1 0 0 0 0
51180 1 0 0 0 0
53181 1 1 0 0 0
55182 1 6 0 0 0
56183 1 0 0 0 0
56184 1 0 0 0 0
57185 1 0 0 0 0
58186 1 6 0 0 0
59187 1 0 0 0 0
60188 1 1 0 0 0
61189 1 0 0 0 0
62190 1 6 0 0 0
63191 1 0 0 0 0
64192 1 0 0 0 0
64193 1 0 0 0 0
68194 1 0 0 0 0
68195 1 0 0 0 0
69196 1 1 0 0 0
71197 1 6 0 0 0
73198 1 1 0 0 0
74199 1 0 0 0 0
75200 1 1 0 0 0
76201 1 0 0 0 0
77202 1 6 0 0 0
78203 1 0 0 0 0
79204 1 1 0 0 0
80205 1 0 0 0 0
81206 1 6 0 0 0
82207 1 0 0 0 0
83208 1 6 0 0 0
84209 1 0 0 0 0
86210 1 1 0 0 0
88211 1 1 0 0 0
89212 1 0 0 0 0
89213 1 0 0 0 0
90214 1 0 0 0 0
91215 1 6 0 0 0
92216 1 0 0 0 0
93217 1 6 0 0 0
94218 1 0 0 0 0
95219 1 6 0 0 0
96220 1 0 0 0 0
M END
> <DATABASE_ID>
NP0003621
> <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@@]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/C68H124O28/c1-41(71)27-19-17-25-31-43(89-65-61(83)57(79)53(75)47(37-69)93-65)29-21-13-9-5-3-7-11-15-23-33-45-35-51(73)87-39-50-56(78)60(82)64(86)68(96-50)92-46(36-52(74)88-40-49-55(77)59(81)63(85)67(91-45)95-49)34-24-16-12-8-4-6-10-14-22-30-44(32-26-18-20-28-42(2)72)90-66-62(84)58(80)54(76)48(38-70)94-66/h41-50,53-72,75-86H,3-40H2,1-2H3/t41-,42+,43+,44-,45-,46-,47-,48+,49-,50-,53+,54+,55+,56-,57-,58-,59-,60-,61+,62+,63-,64-,65+,66+,67-,68+/m1/s1
> <INCHI_KEY>
YHUIMBHKTXDAOE-UHFFFAOYSA-N
> <FORMULA>
C68H124O28
> <MOLECULAR_WEIGHT>
1389.712
> <EXACT_MASS>
1388.827913353
> <JCHEM_ACCEPTOR_COUNT>
26
> <JCHEM_ATOM_COUNT>
220
> <JCHEM_AVERAGE_POLARIZABILITY>
152.3995472752394
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
16
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(1R,3R,8R,9S,10R,11R,12S,14R,19R,20R,21R,22R)-9,10,11,20,21,22-hexahydroxy-3-[(12S,18R)-18-hydroxy-12-{[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}nonadecyl]-14-[(12R,18S)-18-hydroxy-12-{[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}nonadecyl]-2,6,13,17,23,24-hexaoxatricyclo[17.3.1.1^{8,12}]tetracosane-5,16-dione
> <ALOGPS_LOGP>
1.82
> <JCHEM_LOGP>
3.9291855000000027
> <ALOGPS_LOGS>
-4.23
> <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>
341.91099999999983
> <JCHEM_ROTATABLE_BOND_COUNT>
42
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
8.26e-02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(1R,3R,8R,9S,10R,11R,12S,14R,19R,20R,21R,22R)-9,10,11,20,21,22-hexahydroxy-3-[(12S,18R)-18-hydroxy-12-{[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}nonadecyl]-14-[(12R,18S)-18-hydroxy-12-{[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}nonadecyl]-2,6,13,17,23,24-hexaoxatricyclo[17.3.1.1^{8,12}]tetracosane-5,16-dione
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0003621 (Fattiviracin FV-4)
RDKit 3D
220224 0 0 0 0 0 0 0 0999 V2000
13.4475 5.9321 1.8368 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0934 5.4381 1.4446 C 0 0 2 0 0 0 0 0 0 0 0 0
11.1300 5.6682 2.4141 O 0 0 0 0 0 0 0 0 0 0 0 0
12.1994 3.9648 1.0992 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1679 3.8501 -0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3988 2.4615 -0.5436 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1146 1.8137 -1.0563 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3561 0.4673 -1.5874 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9386 -0.6083 -0.8026 C 0 0 1 0 0 0 0 0 0 0 0 0
12.2421 -1.1313 0.4202 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0274 -0.2185 1.5513 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4162 -0.8265 2.7466 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0356 -1.2709 2.8465 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4803 -2.2419 1.8998 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1047 -2.7299 2.2679 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9848 -1.8503 2.4777 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3778 -0.9475 1.4876 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1678 0.1456 0.9391 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6009 1.0736 -0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4678 1.9558 0.2114 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0984 1.4693 0.5068 C 0 0 2 0 0 0 0 0 0 0 0 0
3.5972 0.6853 -0.7096 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7454 -0.4592 -0.3697 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0726 -1.2894 0.5425 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5178 -0.7358 -1.0090 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8675 0.3338 -1.7103 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4513 -0.1405 -2.2653 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4716 0.4344 -1.4738 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6575 -0.0106 -1.9940 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.6959 -0.0106 -1.0982 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1907 -0.3553 0.1410 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.0847 -1.2703 0.9055 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3351 -2.5361 0.1834 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0873 -2.4752 -1.0918 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5106 -1.9428 -0.9334 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2173 -2.8691 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6873 -2.3983 0.1383 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.3702 -3.3402 1.0844 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.7732 -3.1045 1.3823 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.8349 -3.1441 0.3676 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.9202 -2.1493 -0.7077 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.0910 -0.7095 -0.1996 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.3334 -0.5419 0.5863 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.5176 0.8225 1.1436 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.6699 2.0259 0.3548 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.6502 2.5501 -0.5586 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.1974 3.8577 -1.1806 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.4717 4.9011 -0.1706 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.2497 5.2846 0.6445 C 0 0 1 0 0 0 0 0 0 0 0 0
-11.1456 5.8223 -0.2337 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.6396 6.2662 1.5517 O 0 0 0 0 0 0 0 0 0 0 0 0
-14.4919 -0.8973 -0.1564 O 0 0 0 0 0 0 0 0 0 0 0 0
-15.2855 -1.8232 0.4435 C 0 0 1 0 0 0 0 0 0 0 0 0
-16.5444 -1.2201 0.6404 O 0 0 0 0 0 0 0 0 0 0 0 0
-16.9858 -0.6733 -0.5283 C 0 0 2 0 0 0 0 0 0 0 0 0
-18.5250 -0.5757 -0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0
-18.9097 -0.0011 -1.6990 O 0 0 0 0 0 0 0 0 0 0 0 0
-16.5231 -1.2859 -1.7989 C 0 0 2 0 0 0 0 0 0 0 0 0
-17.5156 -1.1640 -2.7847 O 0 0 0 0 0 0 0 0 0 0 0 0
-16.2931 -2.7612 -1.6142 C 0 0 1 0 0 0 0 0 0 0 0 0
-15.5625 -3.2942 -2.6953 O 0 0 0 0 0 0 0 0 0 0 0 0
-15.5700 -3.0832 -0.3317 C 0 0 2 0 0 0 0 0 0 0 0 0
-16.4935 -3.8413 0.4346 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9325 0.9130 0.9421 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4799 0.6439 2.3211 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3658 0.3725 3.1988 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1701 0.6828 2.6549 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1039 -0.0828 2.1312 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1838 0.6011 2.5301 C 0 0 1 0 0 0 0 0 0 0 0 0
1.6822 1.2719 1.4688 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2951 2.4643 1.6360 C 0 0 2 0 0 0 0 0 0 0 0 0
3.2757 2.6225 0.6726 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7671 2.8581 2.9624 C 0 0 2 0 0 0 0 0 0 0 0 0
4.1490 2.8108 3.1156 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2083 2.0652 4.1224 C 0 0 2 0 0 0 0 0 0 0 0 0
3.1155 1.0372 4.4547 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8942 1.4249 3.7637 C 0 0 2 0 0 0 0 0 0 0 0 0
0.5647 0.5364 4.7893 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9410 0.7691 -3.2654 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.2255 0.4523 -3.6729 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9222 0.2378 -4.2818 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.3090 -1.0593 -4.6215 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5384 0.2448 -3.7070 C 0 0 1 0 0 0 0 0 0 0 0 0
0.1226 1.4494 -3.9904 O 0 0 0 0 0 0 0 0 0 0 0 0
13.1196 -1.7244 -1.6450 O 0 0 0 0 0 0 0 0 0 0 0 0
14.4528 -2.0621 -1.7942 C 0 0 1 0 0 0 0 0 0 0 0 0
14.6681 -3.3811 -1.3502 O 0 0 0 0 0 0 0 0 0 0 0 0
16.0110 -3.6252 -1.1895 C 0 0 1 0 0 0 0 0 0 0 0 0
16.2706 -5.1097 -0.9389 C 0 0 0 0 0 0 0 0 0 0 0 0
15.6282 -5.5583 0.1978 O 0 0 0 0 0 0 0 0 0 0 0 0
16.8381 -3.1266 -2.3494 C 0 0 2 0 0 0 0 0 0 0 0 0
17.6343 -2.0413 -1.9690 O 0 0 0 0 0 0 0 0 0 0 0 0
16.0134 -2.8486 -3.5674 C 0 0 1 0 0 0 0 0 0 0 0 0
15.6980 -4.0124 -4.2691 O 0 0 0 0 0 0 0 0 0 0 0 0
14.7896 -2.0376 -3.2658 C 0 0 2 0 0 0 0 0 0 0 0 0
14.9470 -0.7125 -3.7047 O 0 0 0 0 0 0 0 0 0 0 0 0
13.3607 6.8829 2.4242 H 0 0 0 0 0 0 0 0 0 0 0 0
14.0401 5.2380 2.4525 H 0 0 0 0 0 0 0 0 0 0 0 0
14.0896 6.2064 0.9639 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8320 5.9497 0.4749 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8972 6.6417 2.3343 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2173 3.5326 0.8508 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5687 3.4590 1.9997 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1735 4.2199 0.3158 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8921 4.4959 -0.9034 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8736 1.8257 0.2169 H 0 0 0 0 0 0 0 0 0 0 0 0
14.0862 2.5606 -1.4350 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2532 1.9548 -0.4307 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8733 2.4569 -2.0106 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8497 0.5641 -2.6176 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3092 0.0957 -1.9298 H 0 0 0 0 0 0 0 0 0 0 0 0
14.0045 -0.2996 -0.5085 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3316 -1.6379 0.0116 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8463 -2.0466 0.7888 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3237 0.6076 1.2004 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9982 0.3164 1.8202 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6434 -0.0703 3.6120 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1054 -1.6951 3.1212 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9200 -1.6701 3.9319 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3928 -0.3034 2.8437 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5033 -1.8673 0.8695 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1948 -3.1273 1.8786 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2969 -3.3943 3.1912 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8810 -3.5425 1.4931 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0889 -1.2310 3.4426 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0994 -2.5334 2.8190 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4988 -0.4803 2.0475 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8651 -1.5804 0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5531 0.7579 1.8385 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1149 -0.2419 0.4792 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3220 0.4284 -0.9648 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4867 1.6960 -0.4994 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7841 2.6967 1.0335 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4050 2.6944 -0.6986 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0564 0.8758 1.4137 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4353 0.3503 -1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0069 1.3761 -1.3758 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6948 1.2102 -1.0848 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5312 0.6229 -2.5740 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5014 -1.2547 -2.1688 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4770 -1.0951 -2.2865 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1792 -0.8522 0.0328 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6482 -1.5124 1.9055 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0151 -0.6918 1.1317 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3276 -2.9900 -0.0632 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8112 -3.3100 0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2601 -3.5644 -1.3953 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6031 -2.0352 -1.9569 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9967 -2.0083 -1.9215 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5370 -0.8996 -0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2471 -3.8933 -0.4029 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7749 -2.9229 1.0192 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6238 -1.3762 0.5458 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1588 -2.4441 -0.8482 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7977 -3.2829 2.0863 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1765 -4.4138 0.7564 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8124 -2.1297 1.9825 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0959 -3.8415 2.2066 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.8397 -3.1662 0.8988 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.7848 -4.1757 -0.1406 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.9357 -2.3328 -1.2215 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.2274 -2.2120 -1.5459 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.1356 -0.1099 -1.1535 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1985 -0.3490 0.3285 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.3468 -1.2824 1.4374 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.6962 1.0140 1.9276 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.4306 0.7741 1.8451 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.6913 2.0469 -0.1742 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.8473 2.8693 1.1253 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.7078 2.8519 -0.0436 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.3464 1.9540 -1.4171 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.6051 4.1641 -2.0426 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.1946 3.5360 -1.6073 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.7679 5.8369 -0.7647 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.2815 4.6245 0.4968 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.8910 4.4268 1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0
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-10.1617 5.3987 0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.2975 6.8343 1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.8844 -2.1518 1.4442 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.6595 0.4071 -0.5325 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.7551 0.0833 0.3636 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.9622 -1.5883 -0.3682 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.8252 0.9872 -1.6928 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.5685 -0.8394 -2.1730 H 0 0 0 0 0 0 0 0 0 0 0 0
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-17.2957 -3.2509 -1.6691 H 0 0 0 0 0 0 0 0 0 0 0 0
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-17.3932 -3.4473 0.3384 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9029 1.4669 0.9201 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2265 1.5586 0.3888 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1185 -1.1292 2.5106 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1505 -0.1514 1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8764 -0.2202 2.8932 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5060 3.2392 1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4965 3.9313 3.2057 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4845 1.9940 3.5169 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0648 2.6669 5.0399 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6378 0.2713 4.8327 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0763 2.1444 3.6379 H 0 0 0 0 0 0 0 0 0 0 0 0
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15.8236 -0.5821 -4.1085 H 0 0 0 0 0 0 0 0 0 0 0 0
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M END
PDB for NP0003621 (Fattiviracin FV-4)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 13.447 5.932 1.837 0.00 0.00 C+0 HETATM 2 C UNK 0 12.093 5.438 1.445 0.00 0.00 C+0 HETATM 3 O UNK 0 11.130 5.668 2.414 0.00 0.00 O+0 HETATM 4 C UNK 0 12.199 3.965 1.099 0.00 0.00 C+0 HETATM 5 C UNK 0 13.168 3.850 -0.038 0.00 0.00 C+0 HETATM 6 C UNK 0 13.399 2.462 -0.544 0.00 0.00 C+0 HETATM 7 C UNK 0 12.115 1.814 -1.056 0.00 0.00 C+0 HETATM 8 C UNK 0 12.356 0.467 -1.587 0.00 0.00 C+0 HETATM 9 C UNK 0 12.939 -0.608 -0.803 0.00 0.00 C+0 HETATM 10 C UNK 0 12.242 -1.131 0.420 0.00 0.00 C+0 HETATM 11 C UNK 0 12.027 -0.219 1.551 0.00 0.00 C+0 HETATM 12 C UNK 0 11.416 -0.827 2.747 0.00 0.00 C+0 HETATM 13 C UNK 0 10.036 -1.271 2.846 0.00 0.00 C+0 HETATM 14 C UNK 0 9.480 -2.242 1.900 0.00 0.00 C+0 HETATM 15 C UNK 0 8.105 -2.730 2.268 0.00 0.00 C+0 HETATM 16 C UNK 0 6.985 -1.850 2.478 0.00 0.00 C+0 HETATM 17 C UNK 0 6.378 -0.948 1.488 0.00 0.00 C+0 HETATM 18 C UNK 0 7.168 0.146 0.939 0.00 0.00 C+0 HETATM 19 C UNK 0 6.601 1.074 -0.062 0.00 0.00 C+0 HETATM 20 C UNK 0 5.468 1.956 0.211 0.00 0.00 C+0 HETATM 21 C UNK 0 4.098 1.469 0.507 0.00 0.00 C+0 HETATM 22 C UNK 0 3.597 0.685 -0.710 0.00 0.00 C+0 HETATM 23 C UNK 0 2.745 -0.459 -0.370 0.00 0.00 C+0 HETATM 24 O UNK 0 3.073 -1.289 0.543 0.00 0.00 O+0 HETATM 25 O UNK 0 1.518 -0.736 -1.009 0.00 0.00 O+0 HETATM 26 C UNK 0 0.868 0.334 -1.710 0.00 0.00 C+0 HETATM 27 C UNK 0 -0.451 -0.141 -2.265 0.00 0.00 C+0 HETATM 28 O UNK 0 -1.472 0.434 -1.474 0.00 0.00 O+0 HETATM 29 C UNK 0 -2.658 -0.011 -1.994 0.00 0.00 C+0 HETATM 30 O UNK 0 -3.696 -0.011 -1.098 0.00 0.00 O+0 HETATM 31 C UNK 0 -3.191 -0.355 0.141 0.00 0.00 C+0 HETATM 32 C UNK 0 -4.085 -1.270 0.906 0.00 0.00 C+0 HETATM 33 C UNK 0 -4.335 -2.536 0.183 0.00 0.00 C+0 HETATM 34 C UNK 0 -5.087 -2.475 -1.092 0.00 0.00 C+0 HETATM 35 C UNK 0 -6.511 -1.943 -0.933 0.00 0.00 C+0 HETATM 36 C UNK 0 -7.217 -2.869 0.002 0.00 0.00 C+0 HETATM 37 C UNK 0 -8.687 -2.398 0.138 0.00 0.00 C+0 HETATM 38 C UNK 0 -9.370 -3.340 1.084 0.00 0.00 C+0 HETATM 39 C UNK 0 -10.773 -3.104 1.382 0.00 0.00 C+0 HETATM 40 C UNK 0 -11.835 -3.144 0.368 0.00 0.00 C+0 HETATM 41 C UNK 0 -11.920 -2.149 -0.708 0.00 0.00 C+0 HETATM 42 C UNK 0 -12.091 -0.710 -0.200 0.00 0.00 C+0 HETATM 43 C UNK 0 -13.333 -0.542 0.586 0.00 0.00 C+0 HETATM 44 C UNK 0 -13.518 0.823 1.144 0.00 0.00 C+0 HETATM 45 C UNK 0 -13.670 2.026 0.355 0.00 0.00 C+0 HETATM 46 C UNK 0 -12.650 2.550 -0.559 0.00 0.00 C+0 HETATM 47 C UNK 0 -13.197 3.858 -1.181 0.00 0.00 C+0 HETATM 48 C UNK 0 -13.472 4.901 -0.171 0.00 0.00 C+0 HETATM 49 C UNK 0 -12.250 5.285 0.645 0.00 0.00 C+0 HETATM 50 C UNK 0 -11.146 5.822 -0.234 0.00 0.00 C+0 HETATM 51 O UNK 0 -12.640 6.266 1.552 0.00 0.00 O+0 HETATM 52 O UNK 0 -14.492 -0.897 -0.156 0.00 0.00 O+0 HETATM 53 C UNK 0 -15.286 -1.823 0.444 0.00 0.00 C+0 HETATM 54 O UNK 0 -16.544 -1.220 0.640 0.00 0.00 O+0 HETATM 55 C UNK 0 -16.986 -0.673 -0.528 0.00 0.00 C+0 HETATM 56 C UNK 0 -18.525 -0.576 -0.497 0.00 0.00 C+0 HETATM 57 O UNK 0 -18.910 -0.001 -1.699 0.00 0.00 O+0 HETATM 58 C UNK 0 -16.523 -1.286 -1.799 0.00 0.00 C+0 HETATM 59 O UNK 0 -17.516 -1.164 -2.785 0.00 0.00 O+0 HETATM 60 C UNK 0 -16.293 -2.761 -1.614 0.00 0.00 C+0 HETATM 61 O UNK 0 -15.563 -3.294 -2.695 0.00 0.00 O+0 HETATM 62 C UNK 0 -15.570 -3.083 -0.332 0.00 0.00 C+0 HETATM 63 O UNK 0 -16.494 -3.841 0.435 0.00 0.00 O+0 HETATM 64 C UNK 0 -2.933 0.913 0.942 0.00 0.00 C+0 HETATM 65 C UNK 0 -2.480 0.644 2.321 0.00 0.00 C+0 HETATM 66 O UNK 0 -3.366 0.373 3.199 0.00 0.00 O+0 HETATM 67 O UNK 0 -1.170 0.683 2.655 0.00 0.00 O+0 HETATM 68 C UNK 0 -0.104 -0.083 2.131 0.00 0.00 C+0 HETATM 69 C UNK 0 1.184 0.601 2.530 0.00 0.00 C+0 HETATM 70 O UNK 0 1.682 1.272 1.469 0.00 0.00 O+0 HETATM 71 C UNK 0 2.295 2.464 1.636 0.00 0.00 C+0 HETATM 72 O UNK 0 3.276 2.623 0.673 0.00 0.00 O+0 HETATM 73 C UNK 0 2.767 2.858 2.962 0.00 0.00 C+0 HETATM 74 O UNK 0 4.149 2.811 3.116 0.00 0.00 O+0 HETATM 75 C UNK 0 2.208 2.065 4.122 0.00 0.00 C+0 HETATM 76 O UNK 0 3.115 1.037 4.455 0.00 0.00 O+0 HETATM 77 C UNK 0 0.894 1.425 3.764 0.00 0.00 C+0 HETATM 78 O UNK 0 0.565 0.536 4.789 0.00 0.00 O+0 HETATM 79 C UNK 0 -2.941 0.769 -3.265 0.00 0.00 C+0 HETATM 80 O UNK 0 -4.226 0.452 -3.673 0.00 0.00 O+0 HETATM 81 C UNK 0 -1.922 0.238 -4.282 0.00 0.00 C+0 HETATM 82 O UNK 0 -2.309 -1.059 -4.622 0.00 0.00 O+0 HETATM 83 C UNK 0 -0.538 0.245 -3.707 0.00 0.00 C+0 HETATM 84 O UNK 0 0.123 1.449 -3.990 0.00 0.00 O+0 HETATM 85 O UNK 0 13.120 -1.724 -1.645 0.00 0.00 O+0 HETATM 86 C UNK 0 14.453 -2.062 -1.794 0.00 0.00 C+0 HETATM 87 O UNK 0 14.668 -3.381 -1.350 0.00 0.00 O+0 HETATM 88 C UNK 0 16.011 -3.625 -1.190 0.00 0.00 C+0 HETATM 89 C UNK 0 16.271 -5.110 -0.939 0.00 0.00 C+0 HETATM 90 O UNK 0 15.628 -5.558 0.198 0.00 0.00 O+0 HETATM 91 C UNK 0 16.838 -3.127 -2.349 0.00 0.00 C+0 HETATM 92 O UNK 0 17.634 -2.041 -1.969 0.00 0.00 O+0 HETATM 93 C UNK 0 16.013 -2.849 -3.567 0.00 0.00 C+0 HETATM 94 O UNK 0 15.698 -4.012 -4.269 0.00 0.00 O+0 HETATM 95 C UNK 0 14.790 -2.038 -3.266 0.00 0.00 C+0 HETATM 96 O UNK 0 14.947 -0.713 -3.705 0.00 0.00 O+0 HETATM 97 H UNK 0 13.361 6.883 2.424 0.00 0.00 H+0 HETATM 98 H UNK 0 14.040 5.238 2.453 0.00 0.00 H+0 HETATM 99 H UNK 0 14.090 6.206 0.964 0.00 0.00 H+0 HETATM 100 H UNK 0 11.832 5.950 0.475 0.00 0.00 H+0 HETATM 101 H UNK 0 10.897 6.642 2.334 0.00 0.00 H+0 HETATM 102 H UNK 0 11.217 3.533 0.851 0.00 0.00 H+0 HETATM 103 H UNK 0 12.569 3.459 2.000 0.00 0.00 H+0 HETATM 104 H UNK 0 14.174 4.220 0.316 0.00 0.00 H+0 HETATM 105 H UNK 0 12.892 4.496 -0.903 0.00 0.00 H+0 HETATM 106 H UNK 0 13.874 1.826 0.217 0.00 0.00 H+0 HETATM 107 H UNK 0 14.086 2.561 -1.435 0.00 0.00 H+0 HETATM 108 H UNK 0 11.253 1.955 -0.431 0.00 0.00 H+0 HETATM 109 H UNK 0 11.873 2.457 -2.011 0.00 0.00 H+0 HETATM 110 H UNK 0 12.850 0.564 -2.618 0.00 0.00 H+0 HETATM 111 H UNK 0 11.309 0.096 -1.930 0.00 0.00 H+0 HETATM 112 H UNK 0 14.005 -0.300 -0.508 0.00 0.00 H+0 HETATM 113 H UNK 0 11.332 -1.638 0.012 0.00 0.00 H+0 HETATM 114 H UNK 0 12.846 -2.047 0.789 0.00 0.00 H+0 HETATM 115 H UNK 0 11.324 0.608 1.200 0.00 0.00 H+0 HETATM 116 H UNK 0 12.998 0.316 1.820 0.00 0.00 H+0 HETATM 117 H UNK 0 11.643 -0.070 3.612 0.00 0.00 H+0 HETATM 118 H UNK 0 12.105 -1.695 3.121 0.00 0.00 H+0 HETATM 119 H UNK 0 9.920 -1.670 3.932 0.00 0.00 H+0 HETATM 120 H UNK 0 9.393 -0.303 2.844 0.00 0.00 H+0 HETATM 121 H UNK 0 9.503 -1.867 0.870 0.00 0.00 H+0 HETATM 122 H UNK 0 10.195 -3.127 1.879 0.00 0.00 H+0 HETATM 123 H UNK 0 8.297 -3.394 3.191 0.00 0.00 H+0 HETATM 124 H UNK 0 7.881 -3.543 1.493 0.00 0.00 H+0 HETATM 125 H UNK 0 7.089 -1.231 3.443 0.00 0.00 H+0 HETATM 126 H UNK 0 6.099 -2.533 2.819 0.00 0.00 H+0 HETATM 127 H UNK 0 5.499 -0.480 2.047 0.00 0.00 H+0 HETATM 128 H UNK 0 5.865 -1.580 0.708 0.00 0.00 H+0 HETATM 129 H UNK 0 7.553 0.758 1.839 0.00 0.00 H+0 HETATM 130 H UNK 0 8.115 -0.242 0.479 0.00 0.00 H+0 HETATM 131 H UNK 0 6.322 0.428 -0.965 0.00 0.00 H+0 HETATM 132 H UNK 0 7.487 1.696 -0.499 0.00 0.00 H+0 HETATM 133 H UNK 0 5.784 2.697 1.034 0.00 0.00 H+0 HETATM 134 H UNK 0 5.405 2.694 -0.699 0.00 0.00 H+0 HETATM 135 H UNK 0 4.056 0.876 1.414 0.00 0.00 H+0 HETATM 136 H UNK 0 4.435 0.350 -1.343 0.00 0.00 H+0 HETATM 137 H UNK 0 3.007 1.376 -1.376 0.00 0.00 H+0 HETATM 138 H UNK 0 0.695 1.210 -1.085 0.00 0.00 H+0 HETATM 139 H UNK 0 1.531 0.623 -2.574 0.00 0.00 H+0 HETATM 140 H UNK 0 -0.501 -1.255 -2.169 0.00 0.00 H+0 HETATM 141 H UNK 0 -2.477 -1.095 -2.287 0.00 0.00 H+0 HETATM 142 H UNK 0 -2.179 -0.852 0.033 0.00 0.00 H+0 HETATM 143 H UNK 0 -3.648 -1.512 1.906 0.00 0.00 H+0 HETATM 144 H UNK 0 -5.015 -0.692 1.132 0.00 0.00 H+0 HETATM 145 H UNK 0 -3.328 -2.990 -0.063 0.00 0.00 H+0 HETATM 146 H UNK 0 -4.811 -3.310 0.837 0.00 0.00 H+0 HETATM 147 H UNK 0 -5.260 -3.564 -1.395 0.00 0.00 H+0 HETATM 148 H UNK 0 -4.603 -2.035 -1.957 0.00 0.00 H+0 HETATM 149 H UNK 0 -6.997 -2.008 -1.922 0.00 0.00 H+0 HETATM 150 H UNK 0 -6.537 -0.900 -0.624 0.00 0.00 H+0 HETATM 151 H UNK 0 -7.247 -3.893 -0.403 0.00 0.00 H+0 HETATM 152 H UNK 0 -6.775 -2.923 1.019 0.00 0.00 H+0 HETATM 153 H UNK 0 -8.624 -1.376 0.546 0.00 0.00 H+0 HETATM 154 H UNK 0 -9.159 -2.444 -0.848 0.00 0.00 H+0 HETATM 155 H UNK 0 -8.798 -3.283 2.086 0.00 0.00 H+0 HETATM 156 H UNK 0 -9.177 -4.414 0.756 0.00 0.00 H+0 HETATM 157 H UNK 0 -10.812 -2.130 1.982 0.00 0.00 H+0 HETATM 158 H UNK 0 -11.096 -3.841 2.207 0.00 0.00 H+0 HETATM 159 H UNK 0 -12.840 -3.166 0.899 0.00 0.00 H+0 HETATM 160 H UNK 0 -11.785 -4.176 -0.141 0.00 0.00 H+0 HETATM 161 H UNK 0 -12.936 -2.333 -1.222 0.00 0.00 H+0 HETATM 162 H UNK 0 -11.227 -2.212 -1.546 0.00 0.00 H+0 HETATM 163 H UNK 0 -12.136 -0.110 -1.153 0.00 0.00 H+0 HETATM 164 H UNK 0 -11.198 -0.349 0.329 0.00 0.00 H+0 HETATM 165 H UNK 0 -13.347 -1.282 1.437 0.00 0.00 H+0 HETATM 166 H UNK 0 -12.696 1.014 1.928 0.00 0.00 H+0 HETATM 167 H UNK 0 -14.431 0.774 1.845 0.00 0.00 H+0 HETATM 168 H UNK 0 -14.691 2.047 -0.174 0.00 0.00 H+0 HETATM 169 H UNK 0 -13.847 2.869 1.125 0.00 0.00 H+0 HETATM 170 H UNK 0 -11.708 2.852 -0.044 0.00 0.00 H+0 HETATM 171 H UNK 0 -12.346 1.954 -1.417 0.00 0.00 H+0 HETATM 172 H UNK 0 -12.605 4.164 -2.043 0.00 0.00 H+0 HETATM 173 H UNK 0 -14.195 3.536 -1.607 0.00 0.00 H+0 HETATM 174 H UNK 0 -13.768 5.837 -0.765 0.00 0.00 H+0 HETATM 175 H UNK 0 -14.281 4.625 0.497 0.00 0.00 H+0 HETATM 176 H UNK 0 -11.891 4.427 1.229 0.00 0.00 H+0 HETATM 177 H UNK 0 -11.058 6.920 -0.147 0.00 0.00 H+0 HETATM 178 H UNK 0 -11.276 5.558 -1.298 0.00 0.00 H+0 HETATM 179 H UNK 0 -10.162 5.399 0.102 0.00 0.00 H+0 HETATM 180 H UNK 0 -13.297 6.834 1.111 0.00 0.00 H+0 HETATM 181 H UNK 0 -14.884 -2.152 1.444 0.00 0.00 H+0 HETATM 182 H UNK 0 -16.660 0.407 -0.533 0.00 0.00 H+0 HETATM 183 H UNK 0 -18.755 0.083 0.364 0.00 0.00 H+0 HETATM 184 H UNK 0 -18.962 -1.588 -0.368 0.00 0.00 H+0 HETATM 185 H UNK 0 -18.825 0.987 -1.693 0.00 0.00 H+0 HETATM 186 H UNK 0 -15.569 -0.839 -2.173 0.00 0.00 H+0 HETATM 187 H UNK 0 -17.107 -0.884 -3.653 0.00 0.00 H+0 HETATM 188 H UNK 0 -17.296 -3.251 -1.669 0.00 0.00 H+0 HETATM 189 H UNK 0 -15.868 -4.219 -2.821 0.00 0.00 H+0 HETATM 190 H UNK 0 -14.696 -3.700 -0.530 0.00 0.00 H+0 HETATM 191 H UNK 0 -17.393 -3.447 0.338 0.00 0.00 H+0 HETATM 192 H UNK 0 -3.903 1.467 0.920 0.00 0.00 H+0 HETATM 193 H UNK 0 -2.227 1.559 0.389 0.00 0.00 H+0 HETATM 194 H UNK 0 -0.119 -1.129 2.511 0.00 0.00 H+0 HETATM 195 H UNK 0 -0.151 -0.151 1.032 0.00 0.00 H+0 HETATM 196 H UNK 0 1.876 -0.220 2.893 0.00 0.00 H+0 HETATM 197 H UNK 0 1.506 3.239 1.324 0.00 0.00 H+0 HETATM 198 H UNK 0 2.497 3.931 3.206 0.00 0.00 H+0 HETATM 199 H UNK 0 4.484 1.994 3.517 0.00 0.00 H+0 HETATM 200 H UNK 0 2.065 2.667 5.040 0.00 0.00 H+0 HETATM 201 H UNK 0 2.638 0.271 4.833 0.00 0.00 H+0 HETATM 202 H UNK 0 0.076 2.144 3.638 0.00 0.00 H+0 HETATM 203 H UNK 0 0.672 -0.415 4.527 0.00 0.00 H+0 HETATM 204 H UNK 0 -2.775 1.830 -3.063 0.00 0.00 H+0 HETATM 205 H UNK 0 -4.656 1.197 -4.178 0.00 0.00 H+0 HETATM 206 H UNK 0 -1.959 0.845 -5.203 0.00 0.00 H+0 HETATM 207 H UNK 0 -1.568 -1.667 -4.803 0.00 0.00 H+0 HETATM 208 H UNK 0 0.060 -0.533 -4.268 0.00 0.00 H+0 HETATM 209 H UNK 0 -0.510 2.211 -4.035 0.00 0.00 H+0 HETATM 210 H UNK 0 15.070 -1.366 -1.207 0.00 0.00 H+0 HETATM 211 H UNK 0 16.359 -3.079 -0.281 0.00 0.00 H+0 HETATM 212 H UNK 0 17.361 -5.293 -0.787 0.00 0.00 H+0 HETATM 213 H UNK 0 15.977 -5.677 -1.839 0.00 0.00 H+0 HETATM 214 H UNK 0 15.587 -4.877 0.908 0.00 0.00 H+0 HETATM 215 H UNK 0 17.547 -3.942 -2.622 0.00 0.00 H+0 HETATM 216 H UNK 0 18.296 -2.430 -1.310 0.00 0.00 H+0 HETATM 217 H UNK 0 16.644 -2.249 -4.267 0.00 0.00 H+0 HETATM 218 H UNK 0 16.463 -4.664 -4.250 0.00 0.00 H+0 HETATM 219 H UNK 0 13.904 -2.511 -3.784 0.00 0.00 H+0 HETATM 220 H UNK 0 15.824 -0.582 -4.109 0.00 0.00 H+0 CONECT 1 2 97 98 99 CONECT 2 1 3 4 100 CONECT 3 2 101 CONECT 4 2 5 102 103 CONECT 5 4 6 104 105 CONECT 6 5 7 106 107 CONECT 7 6 8 108 109 CONECT 8 7 9 110 111 CONECT 9 8 10 85 112 CONECT 10 9 11 113 114 CONECT 11 10 12 115 116 CONECT 12 11 13 117 118 CONECT 13 12 14 119 120 CONECT 14 13 15 121 122 CONECT 15 14 16 123 124 CONECT 16 15 17 125 126 CONECT 17 16 18 127 128 CONECT 18 17 19 129 130 CONECT 19 18 20 131 132 CONECT 20 19 21 133 134 CONECT 21 20 22 72 135 CONECT 22 21 23 136 137 CONECT 23 22 24 25 CONECT 24 23 CONECT 25 23 26 CONECT 26 25 27 138 139 CONECT 27 26 28 83 140 CONECT 28 27 29 CONECT 29 28 30 79 141 CONECT 30 29 31 CONECT 31 30 32 64 142 CONECT 32 31 33 143 144 CONECT 33 32 34 145 146 CONECT 34 33 35 147 148 CONECT 35 34 36 149 150 CONECT 36 35 37 151 152 CONECT 37 36 38 153 154 CONECT 38 37 39 155 156 CONECT 39 38 40 157 158 CONECT 40 39 41 159 160 CONECT 41 40 42 161 162 CONECT 42 41 43 163 164 CONECT 43 42 44 52 165 CONECT 44 43 45 166 167 CONECT 45 44 46 168 169 CONECT 46 45 47 170 171 CONECT 47 46 48 172 173 CONECT 48 47 49 174 175 CONECT 49 48 50 51 176 CONECT 50 49 177 178 179 CONECT 51 49 180 CONECT 52 43 53 CONECT 53 52 54 62 181 CONECT 54 53 55 CONECT 55 54 56 58 182 CONECT 56 55 57 183 184 CONECT 57 56 185 CONECT 58 55 59 60 186 CONECT 59 58 187 CONECT 60 58 61 62 188 CONECT 61 60 189 CONECT 62 60 63 53 190 CONECT 63 62 191 CONECT 64 31 65 192 193 CONECT 65 64 66 67 CONECT 66 65 CONECT 67 65 68 CONECT 68 67 69 194 195 CONECT 69 68 70 77 196 CONECT 70 69 71 CONECT 71 70 72 73 197 CONECT 72 71 21 CONECT 73 71 74 75 198 CONECT 74 73 199 CONECT 75 73 76 77 200 CONECT 76 75 201 CONECT 77 75 78 69 202 CONECT 78 77 203 CONECT 79 29 80 81 204 CONECT 80 79 205 CONECT 81 79 82 83 206 CONECT 82 81 207 CONECT 83 81 84 27 208 CONECT 84 83 209 CONECT 85 9 86 CONECT 86 85 87 95 210 CONECT 87 86 88 CONECT 88 87 89 91 211 CONECT 89 88 90 212 213 CONECT 90 89 214 CONECT 91 88 92 93 215 CONECT 92 91 216 CONECT 93 91 94 95 217 CONECT 94 93 218 CONECT 95 93 96 86 219 CONECT 96 95 220 CONECT 97 1 CONECT 98 1 CONECT 99 1 CONECT 100 2 CONECT 101 3 CONECT 102 4 CONECT 103 4 CONECT 104 5 CONECT 105 5 CONECT 106 6 CONECT 107 6 CONECT 108 7 CONECT 109 7 CONECT 110 8 CONECT 111 8 CONECT 112 9 CONECT 113 10 CONECT 114 10 CONECT 115 11 CONECT 116 11 CONECT 117 12 CONECT 118 12 CONECT 119 13 CONECT 120 13 CONECT 121 14 CONECT 122 14 CONECT 123 15 CONECT 124 15 CONECT 125 16 CONECT 126 16 CONECT 127 17 CONECT 128 17 CONECT 129 18 CONECT 130 18 CONECT 131 19 CONECT 132 19 CONECT 133 20 CONECT 134 20 CONECT 135 21 CONECT 136 22 CONECT 137 22 CONECT 138 26 CONECT 139 26 CONECT 140 27 CONECT 141 29 CONECT 142 31 CONECT 143 32 CONECT 144 32 CONECT 145 33 CONECT 146 33 CONECT 147 34 CONECT 148 34 CONECT 149 35 CONECT 150 35 CONECT 151 36 CONECT 152 36 CONECT 153 37 CONECT 154 37 CONECT 155 38 CONECT 156 38 CONECT 157 39 CONECT 158 39 CONECT 159 40 CONECT 160 40 CONECT 161 41 CONECT 162 41 CONECT 163 42 CONECT 164 42 CONECT 165 43 CONECT 166 44 CONECT 167 44 CONECT 168 45 CONECT 169 45 CONECT 170 46 CONECT 171 46 CONECT 172 47 CONECT 173 47 CONECT 174 48 CONECT 175 48 CONECT 176 49 CONECT 177 50 CONECT 178 50 CONECT 179 50 CONECT 180 51 CONECT 181 53 CONECT 182 55 CONECT 183 56 CONECT 184 56 CONECT 185 57 CONECT 186 58 CONECT 187 59 CONECT 188 60 CONECT 189 61 CONECT 190 62 CONECT 191 63 CONECT 192 64 CONECT 193 64 CONECT 194 68 CONECT 195 68 CONECT 196 69 CONECT 197 71 CONECT 198 73 CONECT 199 74 CONECT 200 75 CONECT 201 76 CONECT 202 77 CONECT 203 78 CONECT 204 79 CONECT 205 80 CONECT 206 81 CONECT 207 82 CONECT 208 83 CONECT 209 84 CONECT 210 86 CONECT 211 88 CONECT 212 89 CONECT 213 89 CONECT 214 90 CONECT 215 91 CONECT 216 92 CONECT 217 93 CONECT 218 94 CONECT 219 95 CONECT 220 96 MASTER 0 0 0 0 0 0 0 0 220 0 448 0 END SMILES for NP0003621 (Fattiviracin FV-4)[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@@]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 NP0003621 (Fattiviracin FV-4)InChI=1S/C68H124O28/c1-41(71)27-19-17-25-31-43(89-65-61(83)57(79)53(75)47(37-69)93-65)29-21-13-9-5-3-7-11-15-23-33-45-35-51(73)87-39-50-56(78)60(82)64(86)68(96-50)92-46(36-52(74)88-40-49-55(77)59(81)63(85)67(91-45)95-49)34-24-16-12-8-4-6-10-14-22-30-44(32-26-18-20-28-42(2)72)90-66-62(84)58(80)54(76)48(38-70)94-66/h41-50,53-72,75-86H,3-40H2,1-2H3/t41-,42+,43+,44-,45-,46-,47-,48+,49-,50-,53+,54+,55+,56-,57-,58-,59-,60-,61+,62+,63-,64-,65+,66+,67-,68+/m1/s1 3D Structure for NP0003621 (Fattiviracin FV-4) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C68H124O28 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1389.7120 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1388.82791 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (1R,3R,8R,9S,10R,11R,12S,14R,19R,20R,21R,22R)-9,10,11,20,21,22-hexahydroxy-3-[(12S,18R)-18-hydroxy-12-{[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}nonadecyl]-14-[(12R,18S)-18-hydroxy-12-{[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}nonadecyl]-2,6,13,17,23,24-hexaoxatricyclo[17.3.1.1^{8,12}]tetracosane-5,16-dione | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (1R,3R,8R,9S,10R,11R,12S,14R,19R,20R,21R,22R)-9,10,11,20,21,22-hexahydroxy-3-[(12S,18R)-18-hydroxy-12-{[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}nonadecyl]-14-[(12R,18S)-18-hydroxy-12-{[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}nonadecyl]-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(CCCCCCCCCCCC1CC(=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/C68H124O28/c1-41(71)27-19-17-25-31-43(89-65-61(83)57(79)53(75)47(37-69)93-65)29-21-13-9-5-3-7-11-15-23-33-45-35-51(73)87-39-50-56(78)60(82)64(86)68(96-50)92-46(36-52(74)88-40-49-55(77)59(81)63(85)67(91-45)95-49)34-24-16-12-8-4-6-10-14-22-30-44(32-26-18-20-28-42(2)72)90-66-62(84)58(80)54(76)48(38-70)94-66/h41-50,53-72,75-86H,3-40H2,1-2H3 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | YHUIMBHKTXDAOE-UHFFFAOYSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
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| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
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| Predicted Properties |
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| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA007655 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 78444083 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 85132069 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
