Showing NP-Card for Fattiviracin FV-13 (NP0003620)
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2020-12-09 00:49:07 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 16:46:55 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0003620 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Fattiviracin FV-13 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | 9,10,11,20,21,22-Hexahydroxy-3-(20-hydroxy-12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}henicosyl)-14-(24-hydroxy-14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentacosyl)-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 fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Fattiviracin FV-13 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-(24-hydroxy-14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentacosyl)-2,6,13,17,23,24-hexaoxatricyclo[17.3.1.1⁸,¹²]Tetracosane-5,16-dione. | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0003620 (Fattiviracin FV-13)
Mrv1652307012117103D
244248 0 0 0 0 999 V2000
-20.2083 6.9534 -0.9297 C 0 0 0 0 0 0 0 0 0 0 0 0
-19.4953 5.6406 -0.5711 C 0 0 1 0 0 0 0 0 0 0 0 0
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-17.5861 1.4440 0.7451 C 0 0 1 0 0 0 0 0 0 0 0 0
-16.3938 2.2772 0.8711 C 0 0 2 0 0 0 0 0 0 0 0 0
-15.1527 1.5322 0.3448 C 0 0 2 0 0 0 0 0 0 0 0 0
-14.9190 0.3250 1.1688 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.6357 -0.4121 0.7996 C 0 0 2 0 0 0 0 0 0 0 0 0
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-12.3384 -1.6452 -0.9340 C 0 0 2 0 0 0 0 0 0 0 0 0
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-6.1357 1.0039 0.2076 C 0 0 2 0 0 0 0 0 0 0 0 0
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M END
3D MOL for NP0003620 (Fattiviracin FV-13)
RDKit 3D
244248 0 0 0 0 0 0 0 0999 V2000
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M END
3D SDF for NP0003620 (Fattiviracin FV-13)
Mrv1652307012117103D
244248 0 0 0 0 999 V2000
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18.5160 3.9059 -3.3271 H 0 0 0 0 0 0 0 0 0 0 0 0
19.6247 0.6897 -2.9313 H 0 0 0 0 0 0 0 0 0 0 0 0
20.1167 0.8345 -5.0496 H 0 0 0 0 0 0 0 0 0 0 0 0
19.6733 -1.7409 -3.2698 H 0 0 0 0 0 0 0 0 0 0 0 0
18.1117 -2.0903 -4.9539 H 0 0 0 0 0 0 0 0 0 0 0 0
18.2443 -2.1679 -1.3453 H 0 0 0 0 0 0 0 0 0 0 0 0
19.7973 -0.4336 -1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4987 -1.0908 -2.1995 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5872 0.2487 -2.5272 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8427 0.7541 2.3215 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2115 2.2292 1.4541 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1589 2.9247 1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3107 1.9970 -0.4565 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4850 2.4401 1.6311 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6557 4.3898 1.4456 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0364 2.7200 3.6435 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4632 0.4796 4.1651 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0967 1.9117 3.6491 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1979 -0.2605 3.7732 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4050 -2.8488 1.9511 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3818 -4.1339 0.2981 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3536 -4.7859 3.0879 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3432 -2.3774 4.2154 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2852 -5.0903 2.2233 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2894 -3.6359 4.3466 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.3082 -0.7159 -2.3538 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.3241 -3.7497 -1.1312 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.5070 -4.7490 -3.1762 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.4027 -5.8951 -2.1401 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.5443 -6.2471 -3.9042 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.2036 -5.0609 -0.6658 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.0405 -4.4350 -2.4977 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.2357 -3.3975 -0.9106 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.5860 -2.7664 1.1009 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.1600 -1.0639 -0.6302 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.4386 -0.7940 -2.9799 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
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7 8 1 0 0 0 0
8 9 1 0 0 0 0
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10 11 1 0 0 0 0
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12 13 1 0 0 0 0
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14 15 1 0 0 0 0
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27 28 1 0 0 0 0
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29 30 2 0 0 0 0
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31 32 1 0 0 0 0
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33 34 1 0 0 0 0
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49 60 1 0 0 0 0
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61 62 1 0 0 0 0
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85 86 1 0 0 0 0
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13 93 1 0 0 0 0
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96 99 1 0 0 0 0
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99101 1 0 0 0 0
101102 1 0 0 0 0
101103 1 0 0 0 0
103104 1 0 0 0 0
80 27 1 0 0 0 0
103 94 1 0 0 0 0
91 33 1 0 0 0 0
70 61 1 0 0 0 0
85 77 1 0 0 0 0
1105 1 0 0 0 0
1106 1 0 0 0 0
1107 1 0 0 0 0
2108 1 6 0 0 0
3109 1 0 0 0 0
4110 1 0 0 0 0
4111 1 0 0 0 0
5112 1 0 0 0 0
5113 1 0 0 0 0
6114 1 0 0 0 0
6115 1 0 0 0 0
7116 1 0 0 0 0
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8118 1 0 0 0 0
8119 1 0 0 0 0
9120 1 0 0 0 0
9121 1 0 0 0 0
10122 1 0 0 0 0
10123 1 0 0 0 0
11124 1 0 0 0 0
11125 1 0 0 0 0
12126 1 0 0 0 0
12127 1 0 0 0 0
13128 1 6 0 0 0
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14130 1 0 0 0 0
15131 1 0 0 0 0
15132 1 0 0 0 0
16133 1 0 0 0 0
16134 1 0 0 0 0
17135 1 0 0 0 0
17136 1 0 0 0 0
18137 1 0 0 0 0
18138 1 0 0 0 0
19139 1 0 0 0 0
19140 1 0 0 0 0
20141 1 0 0 0 0
20142 1 0 0 0 0
21143 1 0 0 0 0
21144 1 0 0 0 0
22145 1 0 0 0 0
22146 1 0 0 0 0
23147 1 0 0 0 0
23148 1 0 0 0 0
24149 1 0 0 0 0
24150 1 0 0 0 0
25151 1 0 0 0 0
25152 1 0 0 0 0
26153 1 0 0 0 0
26154 1 0 0 0 0
27155 1 1 0 0 0
28156 1 0 0 0 0
28157 1 0 0 0 0
32158 1 0 0 0 0
32159 1 0 0 0 0
33160 1 1 0 0 0
35161 1 1 0 0 0
37162 1 6 0 0 0
38163 1 0 0 0 0
38164 1 0 0 0 0
39165 1 0 0 0 0
39166 1 0 0 0 0
40167 1 0 0 0 0
40168 1 0 0 0 0
41169 1 0 0 0 0
41170 1 0 0 0 0
42171 1 0 0 0 0
42172 1 0 0 0 0
43173 1 0 0 0 0
43174 1 0 0 0 0
44175 1 0 0 0 0
44176 1 0 0 0 0
45177 1 0 0 0 0
45178 1 0 0 0 0
46179 1 0 0 0 0
46180 1 0 0 0 0
47181 1 0 0 0 0
47182 1 0 0 0 0
48183 1 0 0 0 0
48184 1 0 0 0 0
49185 1 6 0 0 0
50186 1 0 0 0 0
50187 1 0 0 0 0
51188 1 0 0 0 0
51189 1 0 0 0 0
52190 1 0 0 0 0
52191 1 0 0 0 0
53192 1 0 0 0 0
53193 1 0 0 0 0
54194 1 0 0 0 0
54195 1 0 0 0 0
55196 1 0 0 0 0
55197 1 0 0 0 0
56198 1 0 0 0 0
56199 1 0 0 0 0
57200 1 1 0 0 0
58201 1 0 0 0 0
58202 1 0 0 0 0
58203 1 0 0 0 0
59204 1 0 0 0 0
61205 1 6 0 0 0
63206 1 6 0 0 0
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64208 1 0 0 0 0
65209 1 0 0 0 0
66210 1 1 0 0 0
67211 1 0 0 0 0
68212 1 1 0 0 0
69213 1 0 0 0 0
70214 1 1 0 0 0
71215 1 0 0 0 0
72216 1 0 0 0 0
72217 1 0 0 0 0
76218 1 0 0 0 0
76219 1 0 0 0 0
77220 1 1 0 0 0
79221 1 6 0 0 0
81222 1 1 0 0 0
82223 1 0 0 0 0
83224 1 1 0 0 0
84225 1 0 0 0 0
85226 1 1 0 0 0
86227 1 0 0 0 0
87228 1 1 0 0 0
88229 1 0 0 0 0
89230 1 1 0 0 0
90231 1 0 0 0 0
91232 1 6 0 0 0
92233 1 0 0 0 0
94234 1 6 0 0 0
96235 1 1 0 0 0
97236 1 0 0 0 0
97237 1 0 0 0 0
98238 1 0 0 0 0
99239 1 1 0 0 0
100240 1 0 0 0 0
101241 1 1 0 0 0
102242 1 0 0 0 0
103243 1 1 0 0 0
104244 1 0 0 0 0
M END
> <DATABASE_ID>
NP0003620
> <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])([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/C76H140O28/c1-49(79)35-27-19-12-11-17-23-31-39-51(97-73-69(91)65(87)61(83)55(45-77)101-73)37-29-21-13-7-4-3-5-8-15-24-33-41-53-43-59(81)95-47-58-64(86)68(90)72(94)76(104-58)100-54(44-60(82)96-48-57-63(85)67(89)71(93)75(99-53)103-57)42-34-25-16-10-6-9-14-22-30-38-52(40-32-26-18-20-28-36-50(2)80)98-74-70(92)66(88)62(84)56(46-78)102-74/h49-58,61-80,83-94H,3-48H2,1-2H3/t49-,50-,51-,52-,53+,54-,55-,56+,57-,58+,61+,62+,63+,64+,65-,66+,67+,68+,69+,70-,71-,72-,73+,74+,75-,76+/m1/s1
> <INCHI_KEY>
DQDXNMHWHSXPHF-UHFFFAOYSA-N
> <FORMULA>
C76H140O28
> <MOLECULAR_WEIGHT>
1501.928
> <EXACT_MASS>
1500.953113868
> <JCHEM_ACCEPTOR_COUNT>
26
> <JCHEM_ATOM_COUNT>
244
> <JCHEM_AVERAGE_POLARIZABILITY>
167.56918564225106
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
16
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(1S,3R,8R,9R,10S,11R,12R,14S,19S,20R,21S,22R)-9,10,11,20,21,22-hexahydroxy-3-[(12R,20R)-20-hydroxy-12-{[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}henicosyl]-14-[(14R,24R)-24-hydroxy-14-{[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentacosyl]-2,6,13,17,23,24-hexaoxatricyclo[17.3.1.1^{8,12}]tetracosane-5,16-dione
> <JCHEM_LOGP>
7.485734820000005
> <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>
378.71899999999965
> <JCHEM_ROTATABLE_BOND_COUNT>
50
> <JCHEM_RULE_OF_FIVE>
0
> <JCHEM_TRADITIONAL_IUPAC>
(1S,3R,8R,9R,10S,11R,12R,14S,19S,20R,21S,22R)-9,10,11,20,21,22-hexahydroxy-3-[(12R,20R)-20-hydroxy-12-{[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}henicosyl]-14-[(14R,24R)-24-hydroxy-14-{[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentacosyl]-2,6,13,17,23,24-hexaoxatricyclo[17.3.1.1^{8,12}]tetracosane-5,16-dione
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0003620 (Fattiviracin FV-13)
RDKit 3D
244248 0 0 0 0 0 0 0 0999 V2000
-20.2083 6.9534 -0.9297 C 0 0 0 0 0 0 0 0 0 0 0 0
-19.4953 5.6406 -0.5711 C 0 0 1 0 0 0 0 0 0 0 0 0
-18.1848 5.7570 -1.0110 O 0 0 0 0 0 0 0 0 0 0 0 0
-19.5187 5.5528 0.9173 C 0 0 0 0 0 0 0 0 0 0 0 0
-18.8163 4.2988 1.4003 C 0 0 0 0 0 0 0 0 0 0 0 0
-19.4998 3.0912 0.8718 C 0 0 0 0 0 0 0 0 0 0 0 0
-18.8883 1.8226 1.2887 C 0 0 0 0 0 0 0 0 0 0 0 0
-17.5861 1.4440 0.7451 C 0 0 0 0 0 0 0 0 0 0 0 0
-16.3938 2.2772 0.8711 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.1527 1.5322 0.3448 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.9190 0.3250 1.1688 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.6357 -0.4121 0.7996 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.6740 -0.9106 -0.5888 C 0 0 1 0 0 0 0 0 0 0 0 0
-12.3384 -1.6452 -0.9340 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.2347 -0.6768 -0.8433 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.8553 -1.2667 -1.0993 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5139 -2.3036 -0.0395 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5215 -1.6446 1.3314 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4891 -0.5501 1.4214 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0913 -1.0532 1.3021 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0780 0.0615 1.3358 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1357 1.0039 0.2076 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9980 0.6196 -1.1729 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8591 0.0009 -1.7974 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3127 -1.3274 -1.5298 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7139 -1.6422 -0.2594 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5078 -0.8771 0.2131 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.3556 -1.0830 -0.7885 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8680 -2.5068 -0.6637 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2889 -3.2594 -1.6243 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1018 -2.9768 0.2972 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9604 -3.6342 0.7651 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5733 -3.0665 2.0537 C 0 0 2 0 0 0 0 0 0 0 0 0
2.2706 -1.9131 1.9173 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4931 -1.9557 1.3123 C 0 0 2 0 0 0 0 0 0 0 0 0
3.3222 -1.8794 -0.0290 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0269 -0.9999 -0.7651 C 0 0 2 0 0 0 0 0 0 0 0 0
4.9491 -0.0534 -0.0617 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5963 0.8208 -1.1011 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6085 1.7983 -0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7543 1.0376 0.0683 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8285 1.9593 0.5769 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9268 1.1139 1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4956 0.1557 0.1867 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0769 0.7974 -1.0269 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2480 1.6932 -0.8004 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4027 0.9021 -0.1626 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6976 -0.2151 -1.0846 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9340 -1.0177 -0.5738 C 0 0 2 0 0 0 0 0 0 0 0 0
14.6741 -1.5307 0.7576 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7256 -2.3326 1.4101 C 0 0 0 0 0 0 0 0 0 0 0 0
17.0027 -1.6875 1.7867 C 0 0 0 0 0 0 0 0 0 0 0 0
16.8105 -0.5531 2.7844 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1291 -0.0294 3.2101 C 0 0 0 0 0 0 0 0 0 0 0 0
19.0260 0.5181 2.1759 C 0 0 0 0 0 0 0 0 0 0 0 0
18.5403 1.6896 1.3969 C 0 0 0 0 0 0 0 0 0 0 0 0
18.2478 2.9197 2.1866 C 0 0 1 0 0 0 0 0 0 0 0 0
17.7806 3.9902 1.1895 C 0 0 0 0 0 0 0 0 0 0 0 0
17.2979 2.7919 3.1701 O 0 0 0 0 0 0 0 0 0 0 0 0
16.0635 -0.3078 -0.8218 O 0 0 0 0 0 0 0 0 0 0 0 0
16.7130 -0.7503 -1.9786 C 0 0 1 0 0 0 0 0 0 0 0 0
16.4891 0.1368 -3.0358 O 0 0 0 0 0 0 0 0 0 0 0 0
17.5143 0.9043 -3.4575 C 0 0 1 0 0 0 0 0 0 0 0 0
17.6074 2.2462 -2.7464 C 0 0 0 0 0 0 0 0 0 0 0 0
18.7013 2.9284 -3.2658 O 0 0 0 0 0 0 0 0 0 0 0 0
18.8556 0.2723 -3.6165 C 0 0 2 0 0 0 0 0 0 0 0 0
19.3227 0.2862 -4.9347 O 0 0 0 0 0 0 0 0 0 0 0 0
18.7175 -1.2178 -3.2695 C 0 0 2 0 0 0 0 0 0 0 0 0
17.7450 -1.7847 -4.0891 O 0 0 0 0 0 0 0 0 0 0 0 0
18.1123 -1.1858 -1.8424 C 0 0 1 0 0 0 0 0 0 0 0 0
18.8559 -0.2065 -1.1908 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1288 -0.2761 -1.6931 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0772 0.5802 -1.0305 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4693 1.2629 -1.9365 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7994 0.6446 0.2371 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5649 1.3321 1.3750 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1133 1.8210 1.5302 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.6249 1.4503 0.4459 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9690 1.4361 0.4836 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.6616 0.3297 0.7271 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3776 2.4483 1.5837 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.9716 3.7235 1.2657 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8860 1.9159 2.8853 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.7300 0.8698 3.3131 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4677 1.3914 2.8506 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.4099 0.0426 3.0894 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3425 -3.1564 1.7059 C 0 0 2 0 0 0 0 0 0 0 0 0
4.4767 -4.0622 0.6507 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8163 -3.8041 2.9489 C 0 0 1 0 0 0 0 0 0 0 0 0
4.1002 -3.0160 4.0636 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3655 -4.1086 2.7770 C 0 0 1 0 0 0 0 0 0 0 0 0
1.8296 -4.4156 4.0517 O 0 0 0 0 0 0 0 0 0 0 0 0
-14.6801 -1.8724 -0.7381 O 0 0 0 0 0 0 0 0 0 0 0 0
-15.5050 -1.6645 -1.8065 C 0 0 1 0 0 0 0 0 0 0 0 0
-15.2057 -2.7261 -2.7208 O 0 0 0 0 0 0 0 0 0 0 0 0
-15.0247 -3.8582 -1.9601 C 0 0 2 0 0 0 0 0 0 0 0 0
-14.5182 -5.0103 -2.8262 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
PDB for NP0003620 (Fattiviracin FV-13)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 -20.208 6.953 -0.930 0.00 0.00 C+0 HETATM 2 C UNK 0 -19.495 5.641 -0.571 0.00 0.00 C+0 HETATM 3 O UNK 0 -18.185 5.757 -1.011 0.00 0.00 O+0 HETATM 4 C UNK 0 -19.519 5.553 0.917 0.00 0.00 C+0 HETATM 5 C UNK 0 -18.816 4.299 1.400 0.00 0.00 C+0 HETATM 6 C UNK 0 -19.500 3.091 0.872 0.00 0.00 C+0 HETATM 7 C UNK 0 -18.888 1.823 1.289 0.00 0.00 C+0 HETATM 8 C UNK 0 -17.586 1.444 0.745 0.00 0.00 C+0 HETATM 9 C UNK 0 -16.394 2.277 0.871 0.00 0.00 C+0 HETATM 10 C UNK 0 -15.153 1.532 0.345 0.00 0.00 C+0 HETATM 11 C UNK 0 -14.919 0.325 1.169 0.00 0.00 C+0 HETATM 12 C UNK 0 -13.636 -0.412 0.800 0.00 0.00 C+0 HETATM 13 C UNK 0 -13.674 -0.911 -0.589 0.00 0.00 C+0 HETATM 14 C UNK 0 -12.338 -1.645 -0.934 0.00 0.00 C+0 HETATM 15 C UNK 0 -11.235 -0.677 -0.843 0.00 0.00 C+0 HETATM 16 C UNK 0 -9.855 -1.267 -1.099 0.00 0.00 C+0 HETATM 17 C UNK 0 -9.514 -2.304 -0.040 0.00 0.00 C+0 HETATM 18 C UNK 0 -9.521 -1.645 1.331 0.00 0.00 C+0 HETATM 19 C UNK 0 -8.489 -0.550 1.421 0.00 0.00 C+0 HETATM 20 C UNK 0 -7.091 -1.053 1.302 0.00 0.00 C+0 HETATM 21 C UNK 0 -6.078 0.062 1.336 0.00 0.00 C+0 HETATM 22 C UNK 0 -6.136 1.004 0.208 0.00 0.00 C+0 HETATM 23 C UNK 0 -5.998 0.620 -1.173 0.00 0.00 C+0 HETATM 24 C UNK 0 -4.859 0.001 -1.797 0.00 0.00 C+0 HETATM 25 C UNK 0 -4.313 -1.327 -1.530 0.00 0.00 C+0 HETATM 26 C UNK 0 -3.714 -1.642 -0.259 0.00 0.00 C+0 HETATM 27 C UNK 0 -2.508 -0.877 0.213 0.00 0.00 C+0 HETATM 28 C UNK 0 -1.356 -1.083 -0.789 0.00 0.00 C+0 HETATM 29 C UNK 0 -0.868 -2.507 -0.664 0.00 0.00 C+0 HETATM 30 O UNK 0 -1.289 -3.259 -1.624 0.00 0.00 O+0 HETATM 31 O UNK 0 -0.102 -2.977 0.297 0.00 0.00 O+0 HETATM 32 C UNK 0 0.960 -3.634 0.765 0.00 0.00 C+0 HETATM 33 C UNK 0 1.573 -3.067 2.054 0.00 0.00 C+0 HETATM 34 O UNK 0 2.271 -1.913 1.917 0.00 0.00 O+0 HETATM 35 C UNK 0 3.493 -1.956 1.312 0.00 0.00 C+0 HETATM 36 O UNK 0 3.322 -1.879 -0.029 0.00 0.00 O+0 HETATM 37 C UNK 0 4.027 -1.000 -0.765 0.00 0.00 C+0 HETATM 38 C UNK 0 4.949 -0.053 -0.062 0.00 0.00 C+0 HETATM 39 C UNK 0 5.596 0.821 -1.101 0.00 0.00 C+0 HETATM 40 C UNK 0 6.609 1.798 -0.568 0.00 0.00 C+0 HETATM 41 C UNK 0 7.754 1.038 0.068 0.00 0.00 C+0 HETATM 42 C UNK 0 8.829 1.959 0.577 0.00 0.00 C+0 HETATM 43 C UNK 0 9.927 1.114 1.193 0.00 0.00 C+0 HETATM 44 C UNK 0 10.496 0.156 0.187 0.00 0.00 C+0 HETATM 45 C UNK 0 11.077 0.797 -1.027 0.00 0.00 C+0 HETATM 46 C UNK 0 12.248 1.693 -0.800 0.00 0.00 C+0 HETATM 47 C UNK 0 13.403 0.902 -0.163 0.00 0.00 C+0 HETATM 48 C UNK 0 13.698 -0.215 -1.085 0.00 0.00 C+0 HETATM 49 C UNK 0 14.934 -1.018 -0.574 0.00 0.00 C+0 HETATM 50 C UNK 0 14.674 -1.531 0.758 0.00 0.00 C+0 HETATM 51 C UNK 0 15.726 -2.333 1.410 0.00 0.00 C+0 HETATM 52 C UNK 0 17.003 -1.688 1.787 0.00 0.00 C+0 HETATM 53 C UNK 0 16.811 -0.553 2.784 0.00 0.00 C+0 HETATM 54 C UNK 0 18.129 -0.029 3.210 0.00 0.00 C+0 HETATM 55 C UNK 0 19.026 0.518 2.176 0.00 0.00 C+0 HETATM 56 C UNK 0 18.540 1.690 1.397 0.00 0.00 C+0 HETATM 57 C UNK 0 18.248 2.920 2.187 0.00 0.00 C+0 HETATM 58 C UNK 0 17.781 3.990 1.190 0.00 0.00 C+0 HETATM 59 O UNK 0 17.298 2.792 3.170 0.00 0.00 O+0 HETATM 60 O UNK 0 16.064 -0.308 -0.822 0.00 0.00 O+0 HETATM 61 C UNK 0 16.713 -0.750 -1.979 0.00 0.00 C+0 HETATM 62 O UNK 0 16.489 0.137 -3.036 0.00 0.00 O+0 HETATM 63 C UNK 0 17.514 0.904 -3.458 0.00 0.00 C+0 HETATM 64 C UNK 0 17.607 2.246 -2.746 0.00 0.00 C+0 HETATM 65 O UNK 0 18.701 2.928 -3.266 0.00 0.00 O+0 HETATM 66 C UNK 0 18.856 0.272 -3.616 0.00 0.00 C+0 HETATM 67 O UNK 0 19.323 0.286 -4.935 0.00 0.00 O+0 HETATM 68 C UNK 0 18.718 -1.218 -3.269 0.00 0.00 C+0 HETATM 69 O UNK 0 17.745 -1.785 -4.089 0.00 0.00 O+0 HETATM 70 C UNK 0 18.112 -1.186 -1.842 0.00 0.00 C+0 HETATM 71 O UNK 0 18.856 -0.207 -1.191 0.00 0.00 O+0 HETATM 72 C UNK 0 3.129 -0.276 -1.693 0.00 0.00 C+0 HETATM 73 C UNK 0 2.077 0.580 -1.030 0.00 0.00 C+0 HETATM 74 O UNK 0 1.469 1.263 -1.937 0.00 0.00 O+0 HETATM 75 O UNK 0 1.799 0.645 0.237 0.00 0.00 O+0 HETATM 76 C UNK 0 1.565 1.332 1.375 0.00 0.00 C+0 HETATM 77 C UNK 0 0.113 1.821 1.530 0.00 0.00 C+0 HETATM 78 O UNK 0 -0.625 1.450 0.446 0.00 0.00 O+0 HETATM 79 C UNK 0 -1.969 1.436 0.484 0.00 0.00 C+0 HETATM 80 O UNK 0 -2.662 0.330 0.727 0.00 0.00 O+0 HETATM 81 C UNK 0 -2.378 2.448 1.584 0.00 0.00 C+0 HETATM 82 O UNK 0 -1.972 3.724 1.266 0.00 0.00 O+0 HETATM 83 C UNK 0 -1.886 1.916 2.885 0.00 0.00 C+0 HETATM 84 O UNK 0 -2.730 0.870 3.313 0.00 0.00 O+0 HETATM 85 C UNK 0 -0.468 1.391 2.851 0.00 0.00 C+0 HETATM 86 O UNK 0 -0.410 0.043 3.089 0.00 0.00 O+0 HETATM 87 C UNK 0 4.343 -3.156 1.706 0.00 0.00 C+0 HETATM 88 O UNK 0 4.477 -4.062 0.651 0.00 0.00 O+0 HETATM 89 C UNK 0 3.816 -3.804 2.949 0.00 0.00 C+0 HETATM 90 O UNK 0 4.100 -3.016 4.064 0.00 0.00 O+0 HETATM 91 C UNK 0 2.365 -4.109 2.777 0.00 0.00 C+0 HETATM 92 O UNK 0 1.830 -4.416 4.052 0.00 0.00 O+0 HETATM 93 O UNK 0 -14.680 -1.872 -0.738 0.00 0.00 O+0 HETATM 94 C UNK 0 -15.505 -1.665 -1.807 0.00 0.00 C+0 HETATM 95 O UNK 0 -15.206 -2.726 -2.721 0.00 0.00 O+0 HETATM 96 C UNK 0 -15.025 -3.858 -1.960 0.00 0.00 C+0 HETATM 97 C UNK 0 -14.518 -5.010 -2.826 0.00 0.00 C+0 HETATM 98 O UNK 0 -15.420 -5.289 -3.821 0.00 0.00 O+0 HETATM 99 C UNK 0 -16.378 -4.274 -1.446 0.00 0.00 C+0 HETATM 100 O UNK 0 -17.131 -4.819 -2.485 0.00 0.00 O+0 HETATM 101 C UNK 0 -17.148 -3.173 -0.804 0.00 0.00 C+0 HETATM 102 O UNK 0 -16.808 -3.104 0.557 0.00 0.00 O+0 HETATM 103 C UNK 0 -16.939 -1.809 -1.418 0.00 0.00 C+0 HETATM 104 O UNK 0 -17.769 -1.616 -2.529 0.00 0.00 O+0 HETATM 105 H UNK 0 -19.919 7.675 -0.160 0.00 0.00 H+0 HETATM 106 H UNK 0 -19.947 7.280 -1.953 0.00 0.00 H+0 HETATM 107 H UNK 0 -21.292 6.752 -0.847 0.00 0.00 H+0 HETATM 108 H UNK 0 -20.035 4.797 -1.043 0.00 0.00 H+0 HETATM 109 H UNK 0 -17.684 6.255 -0.337 0.00 0.00 H+0 HETATM 110 H UNK 0 -20.582 5.582 1.290 0.00 0.00 H+0 HETATM 111 H UNK 0 -19.032 6.460 1.374 0.00 0.00 H+0 HETATM 112 H UNK 0 -17.744 4.374 1.330 0.00 0.00 H+0 HETATM 113 H UNK 0 -18.983 4.340 2.559 0.00 0.00 H+0 HETATM 114 H UNK 0 -20.594 3.070 1.203 0.00 0.00 H+0 HETATM 115 H UNK 0 -19.618 3.127 -0.257 0.00 0.00 H+0 HETATM 116 H UNK 0 -18.784 1.776 2.438 0.00 0.00 H+0 HETATM 117 H UNK 0 -19.594 0.946 1.061 0.00 0.00 H+0 HETATM 118 H UNK 0 -17.334 0.436 1.230 0.00 0.00 H+0 HETATM 119 H UNK 0 -17.748 1.159 -0.363 0.00 0.00 H+0 HETATM 120 H UNK 0 -16.244 2.627 1.905 0.00 0.00 H+0 HETATM 121 H UNK 0 -16.444 3.221 0.230 0.00 0.00 H+0 HETATM 122 H UNK 0 -14.261 2.207 0.481 0.00 0.00 H+0 HETATM 123 H UNK 0 -15.262 1.341 -0.732 0.00 0.00 H+0 HETATM 124 H UNK 0 -14.850 0.583 2.254 0.00 0.00 H+0 HETATM 125 H UNK 0 -15.697 -0.458 1.114 0.00 0.00 H+0 HETATM 126 H UNK 0 -13.594 -1.257 1.558 0.00 0.00 H+0 HETATM 127 H UNK 0 -12.828 0.322 1.028 0.00 0.00 H+0 HETATM 128 H UNK 0 -13.711 -0.098 -1.311 0.00 0.00 H+0 HETATM 129 H UNK 0 -12.420 -1.970 -2.010 0.00 0.00 H+0 HETATM 130 H UNK 0 -12.236 -2.510 -0.278 0.00 0.00 H+0 HETATM 131 H UNK 0 -11.370 0.070 -1.688 0.00 0.00 H+0 HETATM 132 H UNK 0 -11.260 -0.086 0.065 0.00 0.00 H+0 HETATM 133 H UNK 0 -9.892 -1.789 -2.065 0.00 0.00 H+0 HETATM 134 H UNK 0 -9.168 -0.436 -1.161 0.00 0.00 H+0 HETATM 135 H UNK 0 -10.317 -3.055 -0.046 0.00 0.00 H+0 HETATM 136 H UNK 0 -8.573 -2.780 -0.302 0.00 0.00 H+0 HETATM 137 H UNK 0 -9.244 -2.416 2.066 0.00 0.00 H+0 HETATM 138 H UNK 0 -10.502 -1.243 1.544 0.00 0.00 H+0 HETATM 139 H UNK 0 -8.613 -0.076 2.422 0.00 0.00 H+0 HETATM 140 H UNK 0 -8.642 0.250 0.681 0.00 0.00 H+0 HETATM 141 H UNK 0 -7.012 -1.664 0.378 0.00 0.00 H+0 HETATM 142 H UNK 0 -6.832 -1.754 2.136 0.00 0.00 H+0 HETATM 143 H UNK 0 -5.099 -0.199 1.750 0.00 0.00 H+0 HETATM 144 H UNK 0 -6.489 0.710 2.240 0.00 0.00 H+0 HETATM 145 H UNK 0 -5.420 1.861 0.489 0.00 0.00 H+0 HETATM 146 H UNK 0 -7.136 1.569 0.335 0.00 0.00 H+0 HETATM 147 H UNK 0 -6.175 1.610 -1.792 0.00 0.00 H+0 HETATM 148 H UNK 0 -6.917 -0.002 -1.529 0.00 0.00 H+0 HETATM 149 H UNK 0 -4.919 0.131 -2.961 0.00 0.00 H+0 HETATM 150 H UNK 0 -3.933 0.719 -1.647 0.00 0.00 H+0 HETATM 151 H UNK 0 -3.646 -1.566 -2.426 0.00 0.00 H+0 HETATM 152 H UNK 0 -5.168 -2.070 -1.714 0.00 0.00 H+0 HETATM 153 H UNK 0 -4.378 -1.888 0.549 0.00 0.00 H+0 HETATM 154 H UNK 0 -3.276 -2.746 -0.458 0.00 0.00 H+0 HETATM 155 H UNK 0 -2.141 -1.516 1.093 0.00 0.00 H+0 HETATM 156 H UNK 0 -0.565 -0.369 -0.732 0.00 0.00 H+0 HETATM 157 H UNK 0 -1.812 -0.989 -1.790 0.00 0.00 H+0 HETATM 158 H UNK 0 1.817 -3.585 0.042 0.00 0.00 H+0 HETATM 159 H UNK 0 0.850 -4.749 0.879 0.00 0.00 H+0 HETATM 160 H UNK 0 0.703 -2.821 2.738 0.00 0.00 H+0 HETATM 161 H UNK 0 4.072 -1.069 1.654 0.00 0.00 H+0 HETATM 162 H UNK 0 4.700 -1.618 -1.434 0.00 0.00 H+0 HETATM 163 H UNK 0 5.719 -0.531 0.534 0.00 0.00 H+0 HETATM 164 H UNK 0 4.405 0.646 0.620 0.00 0.00 H+0 HETATM 165 H UNK 0 4.843 1.456 -1.636 0.00 0.00 H+0 HETATM 166 H UNK 0 6.102 0.226 -1.896 0.00 0.00 H+0 HETATM 167 H UNK 0 6.951 2.518 -1.317 0.00 0.00 H+0 HETATM 168 H UNK 0 6.111 2.366 0.258 0.00 0.00 H+0 HETATM 169 H UNK 0 8.229 0.408 -0.745 0.00 0.00 H+0 HETATM 170 H UNK 0 7.436 0.338 0.850 0.00 0.00 H+0 HETATM 171 H UNK 0 8.389 2.638 1.338 0.00 0.00 H+0 HETATM 172 H UNK 0 9.169 2.578 -0.271 0.00 0.00 H+0 HETATM 173 H UNK 0 10.744 1.753 1.582 0.00 0.00 H+0 HETATM 174 H UNK 0 9.449 0.510 1.984 0.00 0.00 H+0 HETATM 175 H UNK 0 9.778 -0.625 -0.123 0.00 0.00 H+0 HETATM 176 H UNK 0 11.309 -0.453 0.720 0.00 0.00 H+0 HETATM 177 H UNK 0 10.265 1.411 -1.514 0.00 0.00 H+0 HETATM 178 H UNK 0 11.351 0.020 -1.754 0.00 0.00 H+0 HETATM 179 H UNK 0 12.597 2.052 -1.786 0.00 0.00 H+0 HETATM 180 H UNK 0 12.010 2.594 -0.194 0.00 0.00 H+0 HETATM 181 H UNK 0 13.070 0.535 0.832 0.00 0.00 H+0 HETATM 182 H UNK 0 14.237 1.599 0.003 0.00 0.00 H+0 HETATM 183 H UNK 0 12.896 -1.007 -1.077 0.00 0.00 H+0 HETATM 184 H UNK 0 13.866 0.082 -2.121 0.00 0.00 H+0 HETATM 185 H UNK 0 14.940 -1.893 -1.326 0.00 0.00 H+0 HETATM 186 H UNK 0 14.376 -0.674 1.463 0.00 0.00 H+0 HETATM 187 H UNK 0 13.734 -2.174 0.758 0.00 0.00 H+0 HETATM 188 H UNK 0 15.990 -3.167 0.691 0.00 0.00 H+0 HETATM 189 H UNK 0 15.297 -2.901 2.287 0.00 0.00 H+0 HETATM 190 H UNK 0 17.605 -2.457 2.351 0.00 0.00 H+0 HETATM 191 H UNK 0 17.590 -1.387 0.926 0.00 0.00 H+0 HETATM 192 H UNK 0 16.294 -0.990 3.652 0.00 0.00 H+0 HETATM 193 H UNK 0 16.167 0.249 2.361 0.00 0.00 H+0 HETATM 194 H UNK 0 18.694 -0.899 3.687 0.00 0.00 H+0 HETATM 195 H UNK 0 17.959 0.746 3.993 0.00 0.00 H+0 HETATM 196 H UNK 0 19.999 0.793 2.705 0.00 0.00 H+0 HETATM 197 H UNK 0 19.359 -0.274 1.457 0.00 0.00 H+0 HETATM 198 H UNK 0 19.345 1.953 0.660 0.00 0.00 H+0 HETATM 199 H UNK 0 17.661 1.411 0.784 0.00 0.00 H+0 HETATM 200 H UNK 0 19.160 3.352 2.668 0.00 0.00 H+0 HETATM 201 H UNK 0 18.014 5.011 1.565 0.00 0.00 H+0 HETATM 202 H UNK 0 16.707 3.927 0.991 0.00 0.00 H+0 HETATM 203 H UNK 0 18.326 3.814 0.252 0.00 0.00 H+0 HETATM 204 H UNK 0 17.540 3.280 3.993 0.00 0.00 H+0 HETATM 205 H UNK 0 16.123 -1.667 -2.321 0.00 0.00 H+0 HETATM 206 H UNK 0 17.224 1.218 -4.527 0.00 0.00 H+0 HETATM 207 H UNK 0 17.696 2.191 -1.671 0.00 0.00 H+0 HETATM 208 H UNK 0 16.715 2.881 -2.994 0.00 0.00 H+0 HETATM 209 H UNK 0 18.516 3.906 -3.327 0.00 0.00 H+0 HETATM 210 H UNK 0 19.625 0.690 -2.931 0.00 0.00 H+0 HETATM 211 H UNK 0 20.117 0.835 -5.050 0.00 0.00 H+0 HETATM 212 H UNK 0 19.673 -1.741 -3.270 0.00 0.00 H+0 HETATM 213 H UNK 0 18.112 -2.090 -4.954 0.00 0.00 H+0 HETATM 214 H UNK 0 18.244 -2.168 -1.345 0.00 0.00 H+0 HETATM 215 H UNK 0 19.797 -0.434 -1.094 0.00 0.00 H+0 HETATM 216 H UNK 0 2.499 -1.091 -2.200 0.00 0.00 H+0 HETATM 217 H UNK 0 3.587 0.249 -2.527 0.00 0.00 H+0 HETATM 218 H UNK 0 1.843 0.754 2.321 0.00 0.00 H+0 HETATM 219 H UNK 0 2.212 2.229 1.454 0.00 0.00 H+0 HETATM 220 H UNK 0 0.159 2.925 1.549 0.00 0.00 H+0 HETATM 221 H UNK 0 -2.311 1.997 -0.457 0.00 0.00 H+0 HETATM 222 H UNK 0 -3.485 2.440 1.631 0.00 0.00 H+0 HETATM 223 H UNK 0 -2.656 4.390 1.446 0.00 0.00 H+0 HETATM 224 H UNK 0 -2.036 2.720 3.644 0.00 0.00 H+0 HETATM 225 H UNK 0 -2.463 0.480 4.165 0.00 0.00 H+0 HETATM 226 H UNK 0 0.097 1.912 3.649 0.00 0.00 H+0 HETATM 227 H UNK 0 0.198 -0.261 3.773 0.00 0.00 H+0 HETATM 228 H UNK 0 5.405 -2.849 1.951 0.00 0.00 H+0 HETATM 229 H UNK 0 5.382 -4.134 0.298 0.00 0.00 H+0 HETATM 230 H UNK 0 4.354 -4.786 3.088 0.00 0.00 H+0 HETATM 231 H UNK 0 3.343 -2.377 4.215 0.00 0.00 H+0 HETATM 232 H UNK 0 2.285 -5.090 2.223 0.00 0.00 H+0 HETATM 233 H UNK 0 1.289 -3.636 4.347 0.00 0.00 H+0 HETATM 234 H UNK 0 -15.308 -0.716 -2.354 0.00 0.00 H+0 HETATM 235 H UNK 0 -14.324 -3.750 -1.131 0.00 0.00 H+0 HETATM 236 H UNK 0 -13.507 -4.749 -3.176 0.00 0.00 H+0 HETATM 237 H UNK 0 -14.403 -5.895 -2.140 0.00 0.00 H+0 HETATM 238 H UNK 0 -15.544 -6.247 -3.904 0.00 0.00 H+0 HETATM 239 H UNK 0 -16.204 -5.061 -0.666 0.00 0.00 H+0 HETATM 240 H UNK 0 -18.041 -4.435 -2.498 0.00 0.00 H+0 HETATM 241 H UNK 0 -18.236 -3.397 -0.911 0.00 0.00 H+0 HETATM 242 H UNK 0 -17.586 -2.766 1.101 0.00 0.00 H+0 HETATM 243 H UNK 0 -17.160 -1.064 -0.630 0.00 0.00 H+0 HETATM 244 H UNK 0 -17.439 -0.794 -2.980 0.00 0.00 H+0 CONECT 1 2 105 106 107 CONECT 2 1 3 4 108 CONECT 3 2 109 CONECT 4 2 5 110 111 CONECT 5 4 6 112 113 CONECT 6 5 7 114 115 CONECT 7 6 8 116 117 CONECT 8 7 9 118 119 CONECT 9 8 10 120 121 CONECT 10 9 11 122 123 CONECT 11 10 12 124 125 CONECT 12 11 13 126 127 CONECT 13 12 14 93 128 CONECT 14 13 15 129 130 CONECT 15 14 16 131 132 CONECT 16 15 17 133 134 CONECT 17 16 18 135 136 CONECT 18 17 19 137 138 CONECT 19 18 20 139 140 CONECT 20 19 21 141 142 CONECT 21 20 22 143 144 CONECT 22 21 23 145 146 CONECT 23 22 24 147 148 CONECT 24 23 25 149 150 CONECT 25 24 26 151 152 CONECT 26 25 27 153 154 CONECT 27 26 28 80 155 CONECT 28 27 29 156 157 CONECT 29 28 30 31 CONECT 30 29 CONECT 31 29 32 CONECT 32 31 33 158 159 CONECT 33 32 34 91 160 CONECT 34 33 35 CONECT 35 34 36 87 161 CONECT 36 35 37 CONECT 37 36 38 72 162 CONECT 38 37 39 163 164 CONECT 39 38 40 165 166 CONECT 40 39 41 167 168 CONECT 41 40 42 169 170 CONECT 42 41 43 171 172 CONECT 43 42 44 173 174 CONECT 44 43 45 175 176 CONECT 45 44 46 177 178 CONECT 46 45 47 179 180 CONECT 47 46 48 181 182 CONECT 48 47 49 183 184 CONECT 49 48 50 60 185 CONECT 50 49 51 186 187 CONECT 51 50 52 188 189 CONECT 52 51 53 190 191 CONECT 53 52 54 192 193 CONECT 54 53 55 194 195 CONECT 55 54 56 196 197 CONECT 56 55 57 198 199 CONECT 57 56 58 59 200 CONECT 58 57 201 202 203 CONECT 59 57 204 CONECT 60 49 61 CONECT 61 60 62 70 205 CONECT 62 61 63 CONECT 63 62 64 66 206 CONECT 64 63 65 207 208 CONECT 65 64 209 CONECT 66 63 67 68 210 CONECT 67 66 211 CONECT 68 66 69 70 212 CONECT 69 68 213 CONECT 70 68 71 61 214 CONECT 71 70 215 CONECT 72 37 73 216 217 CONECT 73 72 74 75 CONECT 74 73 CONECT 75 73 76 CONECT 76 75 77 218 219 CONECT 77 76 78 85 220 CONECT 78 77 79 CONECT 79 78 80 81 221 CONECT 80 79 27 CONECT 81 79 82 83 222 CONECT 82 81 223 CONECT 83 81 84 85 224 CONECT 84 83 225 CONECT 85 83 86 77 226 CONECT 86 85 227 CONECT 87 35 88 89 228 CONECT 88 87 229 CONECT 89 87 90 91 230 CONECT 90 89 231 CONECT 91 89 92 33 232 CONECT 92 91 233 CONECT 93 13 94 CONECT 94 93 95 103 234 CONECT 95 94 96 CONECT 96 95 97 99 235 CONECT 97 96 98 236 237 CONECT 98 97 238 CONECT 99 96 100 101 239 CONECT 100 99 240 CONECT 101 99 102 103 241 CONECT 102 101 242 CONECT 103 101 104 94 243 CONECT 104 103 244 CONECT 105 1 CONECT 106 1 CONECT 107 1 CONECT 108 2 CONECT 109 3 CONECT 110 4 CONECT 111 4 CONECT 112 5 CONECT 113 5 CONECT 114 6 CONECT 115 6 CONECT 116 7 CONECT 117 7 CONECT 118 8 CONECT 119 8 CONECT 120 9 CONECT 121 9 CONECT 122 10 CONECT 123 10 CONECT 124 11 CONECT 125 11 CONECT 126 12 CONECT 127 12 CONECT 128 13 CONECT 129 14 CONECT 130 14 CONECT 131 15 CONECT 132 15 CONECT 133 16 CONECT 134 16 CONECT 135 17 CONECT 136 17 CONECT 137 18 CONECT 138 18 CONECT 139 19 CONECT 140 19 CONECT 141 20 CONECT 142 20 CONECT 143 21 CONECT 144 21 CONECT 145 22 CONECT 146 22 CONECT 147 23 CONECT 148 23 CONECT 149 24 CONECT 150 24 CONECT 151 25 CONECT 152 25 CONECT 153 26 CONECT 154 26 CONECT 155 27 CONECT 156 28 CONECT 157 28 CONECT 158 32 CONECT 159 32 CONECT 160 33 CONECT 161 35 CONECT 162 37 CONECT 163 38 CONECT 164 38 CONECT 165 39 CONECT 166 39 CONECT 167 40 CONECT 168 40 CONECT 169 41 CONECT 170 41 CONECT 171 42 CONECT 172 42 CONECT 173 43 CONECT 174 43 CONECT 175 44 CONECT 176 44 CONECT 177 45 CONECT 178 45 CONECT 179 46 CONECT 180 46 CONECT 181 47 CONECT 182 47 CONECT 183 48 CONECT 184 48 CONECT 185 49 CONECT 186 50 CONECT 187 50 CONECT 188 51 CONECT 189 51 CONECT 190 52 CONECT 191 52 CONECT 192 53 CONECT 193 53 CONECT 194 54 CONECT 195 54 CONECT 196 55 CONECT 197 55 CONECT 198 56 CONECT 199 56 CONECT 200 57 CONECT 201 58 CONECT 202 58 CONECT 203 58 CONECT 204 59 CONECT 205 61 CONECT 206 63 CONECT 207 64 CONECT 208 64 CONECT 209 65 CONECT 210 66 CONECT 211 67 CONECT 212 68 CONECT 213 69 CONECT 214 70 CONECT 215 71 CONECT 216 72 CONECT 217 72 CONECT 218 76 CONECT 219 76 CONECT 220 77 CONECT 221 79 CONECT 222 81 CONECT 223 82 CONECT 224 83 CONECT 225 84 CONECT 226 85 CONECT 227 86 CONECT 228 87 CONECT 229 88 CONECT 230 89 CONECT 231 90 CONECT 232 91 CONECT 233 92 CONECT 234 94 CONECT 235 96 CONECT 236 97 CONECT 237 97 CONECT 238 98 CONECT 239 99 CONECT 240 100 CONECT 241 101 CONECT 242 102 CONECT 243 103 CONECT 244 104 MASTER 0 0 0 0 0 0 0 0 244 0 496 0 END SMILES for NP0003620 (Fattiviracin FV-13)[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])([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 NP0003620 (Fattiviracin FV-13)InChI=1S/C76H140O28/c1-49(79)35-27-19-12-11-17-23-31-39-51(97-73-69(91)65(87)61(83)55(45-77)101-73)37-29-21-13-7-4-3-5-8-15-24-33-41-53-43-59(81)95-47-58-64(86)68(90)72(94)76(104-58)100-54(44-60(82)96-48-57-63(85)67(89)71(93)75(99-53)103-57)42-34-25-16-10-6-9-14-22-30-38-52(40-32-26-18-20-28-36-50(2)80)98-74-70(92)66(88)62(84)56(46-78)102-74/h49-58,61-80,83-94H,3-48H2,1-2H3/t49-,50-,51-,52-,53+,54-,55-,56+,57-,58+,61+,62+,63+,64+,65-,66+,67+,68+,69+,70-,71-,72-,73+,74+,75-,76+/m1/s1 3D Structure for NP0003620 (Fattiviracin FV-13) | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C76H140O28 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1501.9280 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1500.95311 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (1S,3R,8R,9R,10S,11R,12R,14S,19S,20R,21S,22R)-9,10,11,20,21,22-hexahydroxy-3-[(12R,20R)-20-hydroxy-12-{[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}henicosyl]-14-[(14R,24R)-24-hydroxy-14-{[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentacosyl]-2,6,13,17,23,24-hexaoxatricyclo[17.3.1.1^{8,12}]tetracosane-5,16-dione | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (1S,3R,8R,9R,10S,11R,12R,14S,19S,20R,21S,22R)-9,10,11,20,21,22-hexahydroxy-3-[(12R,20R)-20-hydroxy-12-{[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}henicosyl]-14-[(14R,24R)-24-hydroxy-14-{[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentacosyl]-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)CCCCCCCCCC(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/C76H140O28/c1-49(79)35-27-19-12-11-17-23-31-39-51(97-73-69(91)65(87)61(83)55(45-77)101-73)37-29-21-13-7-4-3-5-8-15-24-33-41-53-43-59(81)95-47-58-64(86)68(90)72(94)76(104-58)100-54(44-60(82)96-48-57-63(85)67(89)71(93)75(99-53)103-57)42-34-25-16-10-6-9-14-22-30-38-52(40-32-26-18-20-28-36-50(2)80)98-74-70(92)66(88)62(84)56(46-78)102-74/h49-58,61-80,83-94H,3-48H2,1-2H3 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | DQDXNMHWHSXPHF-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 fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Kingdom | Organic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Super Class | Lipids and lipid-like molecules | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Class | Fatty Acyls | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Sub Class | Fatty acyl glycosides | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Direct Parent | Fatty acyl glycosides of mono- and disaccharides | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Alternative Parents | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| 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 | NPA017666 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 78444364 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 85112559 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | ||||||||||||||||||||||||||||||||||||||||||||||||||||
