Showing NP-Card for Fattiviracin FV-9 (NP0003623)
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2020-12-09 00:49:15 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 16:46:55 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0003623 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Fattiviracin FV-9 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| 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-(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-9 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-(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 NP0003623 (Fattiviracin FV-9)
Mrv1652307012117103D
232236 0 0 0 0 999 V2000
22.5225 1.3071 0.3534 C 0 0 0 0 0 0 0 0 0 0 0 0
21.7179 1.2891 -0.9093 C 0 0 2 0 0 0 0 0 0 0 0 0
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13.4162 -0.7046 -0.0863 C 0 0 2 0 0 0 0 0 0 0 0 0
12.6635 -1.8038 0.5952 C 0 0 1 0 0 0 0 0 0 0 0 0
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6.1131 -2.3114 1.4968 C 0 0 2 0 0 0 0 0 0 0 0 0
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100232 1 0 0 0 0
M END
3D MOL for NP0003623 (Fattiviracin FV-9)
RDKit 3D
232236 0 0 0 0 0 0 0 0999 V2000
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100232 1 0
M END
3D SDF for NP0003623 (Fattiviracin FV-9)
Mrv1652307012117103D
232236 0 0 0 0 999 V2000
22.5225 1.3071 0.3534 C 0 0 0 0 0 0 0 0 0 0 0 0
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20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
25 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 1 0 0 0 0
53 55 1 0 0 0 0
47 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
58 59 1 0 0 0 0
59 60 1 0 0 0 0
60 61 1 0 0 0 0
59 62 1 0 0 0 0
62 63 1 0 0 0 0
62 64 1 0 0 0 0
64 65 1 0 0 0 0
64 66 1 0 0 0 0
66 67 1 0 0 0 0
33 68 1 0 0 0 0
68 69 1 0 0 0 0
69 70 2 0 0 0 0
69 71 1 0 0 0 0
71 72 1 0 0 0 0
72 73 1 0 0 0 0
73 74 1 0 0 0 0
74 75 1 0 0 0 0
75 76 1 0 0 0 0
75 77 1 0 0 0 0
77 78 1 0 0 0 0
77 79 1 0 0 0 0
79 80 1 0 0 0 0
79 81 1 0 0 0 0
81 82 1 0 0 0 0
31 83 1 0 0 0 0
83 84 1 0 0 0 0
83 85 1 0 0 0 0
85 86 1 0 0 0 0
85 87 1 0 0 0 0
87 88 1 0 0 0 0
11 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
92 93 1 0 0 0 0
93 94 1 0 0 0 0
92 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
97 99 1 0 0 0 0
99100 1 0 0 0 0
76 23 1 0 0 0 0
99 90 1 0 0 0 0
87 29 1 0 0 0 0
66 57 1 0 0 0 0
81 73 1 0 0 0 0
1101 1 0 0 0 0
1102 1 0 0 0 0
1103 1 0 0 0 0
2104 1 6 0 0 0
3105 1 0 0 0 0
4106 1 0 0 0 0
4107 1 0 0 0 0
5108 1 0 0 0 0
5109 1 0 0 0 0
6110 1 0 0 0 0
6111 1 0 0 0 0
7112 1 0 0 0 0
7113 1 0 0 0 0
8114 1 0 0 0 0
8115 1 0 0 0 0
9116 1 0 0 0 0
9117 1 0 0 0 0
10118 1 0 0 0 0
10119 1 0 0 0 0
11120 1 1 0 0 0
12121 1 0 0 0 0
12122 1 0 0 0 0
13123 1 0 0 0 0
13124 1 0 0 0 0
14125 1 0 0 0 0
14126 1 0 0 0 0
15127 1 0 0 0 0
15128 1 0 0 0 0
16129 1 0 0 0 0
16130 1 0 0 0 0
17131 1 0 0 0 0
17132 1 0 0 0 0
18133 1 0 0 0 0
18134 1 0 0 0 0
19135 1 0 0 0 0
19136 1 0 0 0 0
20137 1 0 0 0 0
20138 1 0 0 0 0
21139 1 0 0 0 0
21140 1 0 0 0 0
22141 1 0 0 0 0
22142 1 0 0 0 0
23143 1 1 0 0 0
24144 1 0 0 0 0
24145 1 0 0 0 0
28146 1 0 0 0 0
28147 1 0 0 0 0
29148 1 6 0 0 0
31149 1 6 0 0 0
33150 1 1 0 0 0
34151 1 0 0 0 0
34152 1 0 0 0 0
35153 1 0 0 0 0
35154 1 0 0 0 0
36155 1 0 0 0 0
36156 1 0 0 0 0
37157 1 0 0 0 0
37158 1 0 0 0 0
38159 1 0 0 0 0
38160 1 0 0 0 0
39161 1 0 0 0 0
39162 1 0 0 0 0
40163 1 0 0 0 0
40164 1 0 0 0 0
41165 1 0 0 0 0
41166 1 0 0 0 0
42167 1 0 0 0 0
42168 1 0 0 0 0
43169 1 0 0 0 0
43170 1 0 0 0 0
44171 1 0 0 0 0
44172 1 0 0 0 0
45173 1 0 0 0 0
45174 1 0 0 0 0
46175 1 0 0 0 0
46176 1 0 0 0 0
47177 1 1 0 0 0
48178 1 0 0 0 0
48179 1 0 0 0 0
49180 1 0 0 0 0
49181 1 0 0 0 0
50182 1 0 0 0 0
50183 1 0 0 0 0
51184 1 0 0 0 0
51185 1 0 0 0 0
52186 1 0 0 0 0
52187 1 0 0 0 0
53188 1 1 0 0 0
54189 1 0 0 0 0
54190 1 0 0 0 0
54191 1 0 0 0 0
55192 1 0 0 0 0
57193 1 1 0 0 0
59194 1 1 0 0 0
60195 1 0 0 0 0
60196 1 0 0 0 0
61197 1 0 0 0 0
62198 1 6 0 0 0
63199 1 0 0 0 0
64200 1 1 0 0 0
65201 1 0 0 0 0
66202 1 6 0 0 0
67203 1 0 0 0 0
68204 1 0 0 0 0
68205 1 0 0 0 0
72206 1 0 0 0 0
72207 1 0 0 0 0
73208 1 6 0 0 0
75209 1 6 0 0 0
77210 1 1 0 0 0
78211 1 0 0 0 0
79212 1 6 0 0 0
80213 1 0 0 0 0
81214 1 6 0 0 0
82215 1 0 0 0 0
83216 1 1 0 0 0
84217 1 0 0 0 0
85218 1 6 0 0 0
86219 1 0 0 0 0
87220 1 6 0 0 0
88221 1 0 0 0 0
90222 1 1 0 0 0
92223 1 1 0 0 0
93224 1 0 0 0 0
93225 1 0 0 0 0
94226 1 0 0 0 0
95227 1 6 0 0 0
96228 1 0 0 0 0
97229 1 6 0 0 0
98230 1 0 0 0 0
99231 1 1 0 0 0
100232 1 0 0 0 0
M END
> <DATABASE_ID>
NP0003623
> <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])([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])([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/C72H132O28/c1-45(75)31-23-16-15-21-27-35-47(93-69-65(87)61(83)57(79)51(41-73)97-69)33-25-18-12-9-6-10-14-20-29-38-50-40-56(78)92-44-53-59(81)63(85)67(89)71(99-53)95-49(39-55(77)91-43-54-60(82)64(86)68(90)72(96-50)100-54)37-28-19-13-8-5-3-4-7-11-17-26-34-48(36-30-22-24-32-46(2)76)94-70-66(88)62(84)58(80)52(42-74)98-70/h45-54,57-76,79-90H,3-44H2,1-2H3/t45-,46+,47-,48+,49+,50-,51-,52-,53+,54-,57-,58-,59-,60-,61-,62+,63-,64+,65+,66-,67+,68-,69-,70-,71+,72-/m0/s1
> <INCHI_KEY>
DEJNSCKRVOUASS-UHFFFAOYSA-N
> <FORMULA>
C72H132O28
> <MOLECULAR_WEIGHT>
1445.82
> <EXACT_MASS>
1444.89051361
> <JCHEM_ACCEPTOR_COUNT>
26
> <JCHEM_ATOM_COUNT>
232
> <JCHEM_AVERAGE_POLARIZABILITY>
161.87633174753842
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
16
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(1S,3S,8R,9R,10S,11R,12R,14R,19S,20R,21R,22S)-9,10,11,20,21,22-hexahydroxy-3-[(12S,20S)-20-hydroxy-12-{[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}henicosyl]-14-[(14R,20R)-20-hydroxy-14-{[(2S,3S,4R,5R,6S)-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>
5.707460160000001
> <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>
360.3149999999997
> <JCHEM_ROTATABLE_BOND_COUNT>
46
> <JCHEM_RULE_OF_FIVE>
0
> <JCHEM_TRADITIONAL_IUPAC>
(1S,3S,8R,9R,10S,11R,12R,14R,19S,20R,21R,22S)-9,10,11,20,21,22-hexahydroxy-3-[(12S,20S)-20-hydroxy-12-{[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}henicosyl]-14-[(14R,20R)-20-hydroxy-14-{[(2S,3S,4R,5R,6S)-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 NP0003623 (Fattiviracin FV-9)
RDKit 3D
232236 0 0 0 0 0 0 0 0999 V2000
22.5225 1.3071 0.3534 C 0 0 0 0 0 0 0 0 0 0 0 0
21.7179 1.2891 -0.9093 C 0 0 2 0 0 0 0 0 0 0 0 0
20.8769 2.3734 -0.9719 O 0 0 0 0 0 0 0 0 0 0 0 0
20.8987 0.0023 -1.0218 C 0 0 0 0 0 0 0 0 0 0 0 0
20.1431 0.0619 -2.3192 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3136 -1.1388 -2.6146 C 0 0 0 0 0 0 0 0 0 0 0 0
18.2254 -1.2770 -1.5068 C 0 0 0 0 0 0 0 0 0 0 0 0
17.4734 -2.5029 -1.8501 C 0 0 0 0 0 0 0 0 0 0 0 0
16.4229 -2.9931 -1.0041 C 0 0 0 0 0 0 0 0 0 0 0 0
15.1709 -2.2908 -0.7571 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9521 -1.0580 -0.0848 C 0 0 2 0 0 0 0 0 0 0 0 0
13.4162 -0.7046 -0.0863 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6635 -1.8038 0.5952 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2439 -1.5165 0.9105 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2786 -1.1626 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0508 -2.1311 -1.2361 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9163 -1.6769 -2.1472 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6218 -1.5591 -1.2952 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2717 -2.8456 -0.7016 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1310 -3.0067 0.2173 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1131 -2.3114 1.4968 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9460 -0.8760 1.6930 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5781 -0.3000 1.3708 C 0 0 1 0 0 0 0 0 0 0 0 0
4.0635 -0.4242 0.0125 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5238 0.9091 -0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4544 1.8113 -0.4575 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3366 1.1277 -1.0608 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4235 1.9836 -1.5555 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0029 1.4362 -1.8500 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.8748 1.6761 -0.8331 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1719 1.2628 -1.0586 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.9897 1.3877 0.0582 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4550 0.2646 0.6925 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.9521 0.1038 0.2115 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5178 -1.1039 0.8236 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9161 -1.5110 0.6546 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9984 -0.6458 1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3092 0.6467 0.5664 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7518 0.8032 -0.8272 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.0395 0.1395 -1.2301 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.0382 -1.3365 -1.2595 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.3382 -2.0514 -1.4971 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.3576 -2.0479 -0.4503 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.0034 -0.8649 0.0972 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.8176 0.0139 -0.7336 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.0072 -0.3956 -1.4498 C 0 0 0 0 0 0 0 0 0 0 0 0
-16.2262 -0.9530 -0.7558 C 0 0 2 0 0 0 0 0 0 0 0 0
-16.1144 -2.2134 -0.0578 C 0 0 0 0 0 0 0 0 0 0 0 0
-17.3136 -2.7543 0.6120 C 0 0 0 0 0 0 0 0 0 0 0 0
-17.8793 -2.0862 1.7680 C 0 0 0 0 0 0 0 0 0 0 0 0
-18.3626 -0.7019 1.7655 C 0 0 0 0 0 0 0 0 0 0 0 0
-18.9953 -0.3677 3.1601 C 0 0 0 0 0 0 0 0 0 0 0 0
-19.4931 1.0544 3.1294 C 0 0 1 0 0 0 0 0 0 0 0 0
-18.3658 2.0302 2.8456 C 0 0 0 0 0 0 0 0 0 0 0 0
-20.4453 1.1919 2.1216 O 0 0 0 0 0 0 0 0 0 0 0 0
-17.1627 -1.0882 -1.8468 O 0 0 0 0 0 0 0 0 0 0 0 0
-18.0674 -0.0383 -1.8005 C 0 0 1 0 0 0 0 0 0 0 0 0
-17.7684 0.8488 -2.9043 O 0 0 0 0 0 0 0 0 0 0 0 0
-18.4484 2.0202 -2.6087 C 0 0 1 0 0 0 0 0 0 0 0 0
-18.0808 3.1271 -3.5832 C 0 0 0 0 0 0 0 0 0 0 0 0
-16.7188 3.3791 -3.5304 O 0 0 0 0 0 0 0 0 0 0 0 0
-19.9461 1.8495 -2.7161 C 0 0 2 0 0 0 0 0 0 0 0 0
-20.5250 2.9783 -2.1536 O 0 0 0 0 0 0 0 0 0 0 0 0
-20.4581 0.6370 -2.0145 C 0 0 1 0 0 0 0 0 0 0 0 0
-21.5994 0.1955 -2.6942 O 0 0 0 0 0 0 0 0 0 0 0 0
-19.4525 -0.5088 -2.0924 C 0 0 2 0 0 0 0 0 0 0 0 0
-19.8896 -1.5652 -1.3499 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4933 0.4881 2.1972 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9930 -0.5708 3.0768 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8301 -0.7942 4.0823 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8767 -1.2420 2.9413 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6762 -1.5984 3.4866 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4406 -1.6712 2.4289 C 0 0 2 0 0 0 0 0 0 0 0 0
1.7057 -1.6443 2.9246 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4719 -0.6969 2.2492 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7910 -0.8413 2.4128 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9241 0.6408 2.7538 C 0 0 1 0 0 0 0 0 0 0 0 0
2.7522 1.7010 2.5186 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6231 0.7781 1.9521 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.3229 1.4491 2.7571 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1581 -0.5314 1.4410 C 0 0 1 0 0 0 0 0 0 0 0 0
0.4202 -0.9007 0.1542 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7021 2.1843 -2.1609 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.0379 2.0469 -2.4046 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9145 1.8857 -3.4121 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.2742 2.7888 -4.4450 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4494 2.1083 -3.1689 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.2152 3.4647 -2.9555 O 0 0 0 0 0 0 0 0 0 0 0 0
15.6163 0.1031 -0.3677 O 0 0 0 0 0 0 0 0 0 0 0 0
15.8845 0.8867 0.7108 C 0 0 1 0 0 0 0 0 0 0 0 0
17.2750 0.8666 1.0068 O 0 0 0 0 0 0 0 0 0 0 0 0
17.4553 1.7972 2.0589 C 0 0 1 0 0 0 0 0 0 0 0 0
18.6694 1.4544 2.8345 C 0 0 0 0 0 0 0 0 0 0 0 0
19.8212 1.4501 2.0680 O 0 0 0 0 0 0 0 0 0 0 0 0
17.5950 3.1352 1.3933 C 0 0 2 0 0 0 0 0 0 0 0 0
17.3518 4.1403 2.3337 O 0 0 0 0 0 0 0 0 0 0 0 0
16.6220 3.2460 0.2327 C 0 0 2 0 0 0 0 0 0 0 0 0
16.1213 4.5451 0.2632 O 0 0 0 0 0 0 0 0 0 0 0 0
15.4477 2.3252 0.5188 C 0 0 1 0 0 0 0 0 0 0 0 0
14.5370 2.3813 -0.5429 O 0 0 0 0 0 0 0 0 0 0 0 0
23.6101 1.1788 0.1288 H 0 0 0 0 0 0 0 0 0 0 0 0
22.3425 2.2596 0.8779 H 0 0 0 0 0 0 0 0 0 0 0 0
22.2432 0.4219 0.9572 H 0 0 0 0 0 0 0 0 0 0 0 0
22.4314 1.2651 -1.7829 H 0 0 0 0 0 0 0 0 0 0 0 0
19.9511 2.2002 -0.7311 H 0 0 0 0 0 0 0 0 0 0 0 0
20.2109 -0.0874 -0.1679 H 0 0 0 0 0 0 0 0 0 0 0 0
21.5629 -0.8834 -1.0475 H 0 0 0 0 0 0 0 0 0 0 0 0
19.5162 1.0008 -2.2974 H 0 0 0 0 0 0 0 0 0 0 0 0
20.8562 0.2138 -3.1635 H 0 0 0 0 0 0 0 0 0 0 0 0
18.7390 -1.0615 -3.5491 H 0 0 0 0 0 0 0 0 0 0 0 0
19.8921 -2.0878 -2.5473 H 0 0 0 0 0 0 0 0 0 0 0 0
17.6664 -0.3443 -1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0
18.7659 -1.4373 -0.5592 H 0 0 0 0 0 0 0 0 0 0 0 0
17.0291 -2.2892 -2.8992 H 0 0 0 0 0 0 0 0 0 0 0 0
18.2217 -3.3397 -2.1316 H 0 0 0 0 0 0 0 0 0 0 0 0
16.1256 -4.0493 -1.4369 H 0 0 0 0 0 0 0 0 0 0 0 0
16.8659 -3.3355 0.0276 H 0 0 0 0 0 0 0 0 0 0 0 0
14.5348 -2.2535 -1.7404 H 0 0 0 0 0 0 0 0 0 0 0 0
14.4972 -3.0791 -0.1939 H 0 0 0 0 0 0 0 0 0 0 0 0
15.0561 -1.1572 1.0712 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1420 -0.6831 -1.1494 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2784 0.2190 0.4737 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7170 -2.7614 -0.0364 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1942 -2.0742 1.5267 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8730 -2.4077 1.5073 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2607 -0.6690 1.6824 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6006 -0.1447 -0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3127 -0.8906 0.3925 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9393 -3.1656 -0.9871 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9707 -2.0380 -1.9071 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1141 -0.6949 -2.5474 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7336 -2.4454 -2.8852 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8442 -1.3399 -2.1017 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6488 -0.6827 -0.6846 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1890 -3.2978 -0.1711 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1930 -3.5936 -1.5806 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1310 -4.1332 0.4828 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1546 -2.9312 -0.3383 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0187 -2.6669 2.1101 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2688 -2.8108 2.1088 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0378 -0.7092 2.8483 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7595 -0.2850 1.2448 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7212 0.8141 1.5681 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4087 -1.2550 -0.2555 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9730 -0.6113 -0.6655 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1755 2.8108 -0.8008 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7230 2.5996 -2.4559 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0162 0.3671 -2.1003 H 0 0 0 0 0 0 0 0 0 0 0 0
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18.5545 0.5320 3.4490 H 0 0 0 0 0 0 0 0 0 0 0 0
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20.2179 2.3537 1.9791 H 0 0 0 0 0 0 0 0 0 0 0 0
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17.8489 4.9527 2.0013 H 0 0 0 0 0 0 0 0 0 0 0 0
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M END
PDB for NP0003623 (Fattiviracin FV-9)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 22.523 1.307 0.353 0.00 0.00 C+0 HETATM 2 C UNK 0 21.718 1.289 -0.909 0.00 0.00 C+0 HETATM 3 O UNK 0 20.877 2.373 -0.972 0.00 0.00 O+0 HETATM 4 C UNK 0 20.899 0.002 -1.022 0.00 0.00 C+0 HETATM 5 C UNK 0 20.143 0.062 -2.319 0.00 0.00 C+0 HETATM 6 C UNK 0 19.314 -1.139 -2.615 0.00 0.00 C+0 HETATM 7 C UNK 0 18.225 -1.277 -1.507 0.00 0.00 C+0 HETATM 8 C UNK 0 17.473 -2.503 -1.850 0.00 0.00 C+0 HETATM 9 C UNK 0 16.423 -2.993 -1.004 0.00 0.00 C+0 HETATM 10 C UNK 0 15.171 -2.291 -0.757 0.00 0.00 C+0 HETATM 11 C UNK 0 14.952 -1.058 -0.085 0.00 0.00 C+0 HETATM 12 C UNK 0 13.416 -0.705 -0.086 0.00 0.00 C+0 HETATM 13 C UNK 0 12.664 -1.804 0.595 0.00 0.00 C+0 HETATM 14 C UNK 0 11.244 -1.517 0.911 0.00 0.00 C+0 HETATM 15 C UNK 0 10.279 -1.163 -0.130 0.00 0.00 C+0 HETATM 16 C UNK 0 10.051 -2.131 -1.236 0.00 0.00 C+0 HETATM 17 C UNK 0 8.916 -1.677 -2.147 0.00 0.00 C+0 HETATM 18 C UNK 0 7.622 -1.559 -1.295 0.00 0.00 C+0 HETATM 19 C UNK 0 7.272 -2.846 -0.702 0.00 0.00 C+0 HETATM 20 C UNK 0 6.131 -3.007 0.217 0.00 0.00 C+0 HETATM 21 C UNK 0 6.113 -2.311 1.497 0.00 0.00 C+0 HETATM 22 C UNK 0 5.946 -0.876 1.693 0.00 0.00 C+0 HETATM 23 C UNK 0 4.578 -0.300 1.371 0.00 0.00 C+0 HETATM 24 C UNK 0 4.064 -0.424 0.013 0.00 0.00 C+0 HETATM 25 C UNK 0 3.524 0.909 -0.556 0.00 0.00 C+0 HETATM 26 O UNK 0 4.454 1.811 -0.458 0.00 0.00 O+0 HETATM 27 O UNK 0 2.337 1.128 -1.061 0.00 0.00 O+0 HETATM 28 C UNK 0 1.424 1.984 -1.556 0.00 0.00 C+0 HETATM 29 C UNK 0 0.003 1.436 -1.850 0.00 0.00 C+0 HETATM 30 O UNK 0 -0.875 1.676 -0.833 0.00 0.00 O+0 HETATM 31 C UNK 0 -2.172 1.263 -1.059 0.00 0.00 C+0 HETATM 32 O UNK 0 -2.990 1.388 0.058 0.00 0.00 O+0 HETATM 33 C UNK 0 -3.455 0.265 0.693 0.00 0.00 C+0 HETATM 34 C UNK 0 -4.952 0.104 0.212 0.00 0.00 C+0 HETATM 35 C UNK 0 -5.518 -1.104 0.824 0.00 0.00 C+0 HETATM 36 C UNK 0 -6.916 -1.511 0.655 0.00 0.00 C+0 HETATM 37 C UNK 0 -7.998 -0.646 1.151 0.00 0.00 C+0 HETATM 38 C UNK 0 -8.309 0.647 0.566 0.00 0.00 C+0 HETATM 39 C UNK 0 -8.752 0.803 -0.827 0.00 0.00 C+0 HETATM 40 C UNK 0 -10.040 0.140 -1.230 0.00 0.00 C+0 HETATM 41 C UNK 0 -10.038 -1.337 -1.260 0.00 0.00 C+0 HETATM 42 C UNK 0 -11.338 -2.051 -1.497 0.00 0.00 C+0 HETATM 43 C UNK 0 -12.358 -2.048 -0.450 0.00 0.00 C+0 HETATM 44 C UNK 0 -13.003 -0.865 0.097 0.00 0.00 C+0 HETATM 45 C UNK 0 -13.818 0.014 -0.734 0.00 0.00 C+0 HETATM 46 C UNK 0 -15.007 -0.396 -1.450 0.00 0.00 C+0 HETATM 47 C UNK 0 -16.226 -0.953 -0.756 0.00 0.00 C+0 HETATM 48 C UNK 0 -16.114 -2.213 -0.058 0.00 0.00 C+0 HETATM 49 C UNK 0 -17.314 -2.754 0.612 0.00 0.00 C+0 HETATM 50 C UNK 0 -17.879 -2.086 1.768 0.00 0.00 C+0 HETATM 51 C UNK 0 -18.363 -0.702 1.766 0.00 0.00 C+0 HETATM 52 C UNK 0 -18.995 -0.368 3.160 0.00 0.00 C+0 HETATM 53 C UNK 0 -19.493 1.054 3.129 0.00 0.00 C+0 HETATM 54 C UNK 0 -18.366 2.030 2.846 0.00 0.00 C+0 HETATM 55 O UNK 0 -20.445 1.192 2.122 0.00 0.00 O+0 HETATM 56 O UNK 0 -17.163 -1.088 -1.847 0.00 0.00 O+0 HETATM 57 C UNK 0 -18.067 -0.038 -1.801 0.00 0.00 C+0 HETATM 58 O UNK 0 -17.768 0.849 -2.904 0.00 0.00 O+0 HETATM 59 C UNK 0 -18.448 2.020 -2.609 0.00 0.00 C+0 HETATM 60 C UNK 0 -18.081 3.127 -3.583 0.00 0.00 C+0 HETATM 61 O UNK 0 -16.719 3.379 -3.530 0.00 0.00 O+0 HETATM 62 C UNK 0 -19.946 1.849 -2.716 0.00 0.00 C+0 HETATM 63 O UNK 0 -20.525 2.978 -2.154 0.00 0.00 O+0 HETATM 64 C UNK 0 -20.458 0.637 -2.014 0.00 0.00 C+0 HETATM 65 O UNK 0 -21.599 0.196 -2.694 0.00 0.00 O+0 HETATM 66 C UNK 0 -19.453 -0.509 -2.092 0.00 0.00 C+0 HETATM 67 O UNK 0 -19.890 -1.565 -1.350 0.00 0.00 O+0 HETATM 68 C UNK 0 -3.493 0.488 2.197 0.00 0.00 C+0 HETATM 69 C UNK 0 -2.993 -0.571 3.077 0.00 0.00 C+0 HETATM 70 O UNK 0 -3.830 -0.794 4.082 0.00 0.00 O+0 HETATM 71 O UNK 0 -1.877 -1.242 2.941 0.00 0.00 O+0 HETATM 72 C UNK 0 -0.676 -1.598 3.487 0.00 0.00 C+0 HETATM 73 C UNK 0 0.441 -1.671 2.429 0.00 0.00 C+0 HETATM 74 O UNK 0 1.706 -1.644 2.925 0.00 0.00 O+0 HETATM 75 C UNK 0 2.472 -0.697 2.249 0.00 0.00 C+0 HETATM 76 O UNK 0 3.791 -0.841 2.413 0.00 0.00 O+0 HETATM 77 C UNK 0 1.924 0.641 2.754 0.00 0.00 C+0 HETATM 78 O UNK 0 2.752 1.701 2.519 0.00 0.00 O+0 HETATM 79 C UNK 0 0.623 0.778 1.952 0.00 0.00 C+0 HETATM 80 O UNK 0 -0.323 1.449 2.757 0.00 0.00 O+0 HETATM 81 C UNK 0 0.158 -0.531 1.441 0.00 0.00 C+0 HETATM 82 O UNK 0 0.420 -0.901 0.154 0.00 0.00 O+0 HETATM 83 C UNK 0 -2.702 2.184 -2.161 0.00 0.00 C+0 HETATM 84 O UNK 0 -4.038 2.047 -2.405 0.00 0.00 O+0 HETATM 85 C UNK 0 -1.915 1.886 -3.412 0.00 0.00 C+0 HETATM 86 O UNK 0 -2.274 2.789 -4.445 0.00 0.00 O+0 HETATM 87 C UNK 0 -0.449 2.108 -3.169 0.00 0.00 C+0 HETATM 88 O UNK 0 -0.215 3.465 -2.955 0.00 0.00 O+0 HETATM 89 O UNK 0 15.616 0.103 -0.368 0.00 0.00 O+0 HETATM 90 C UNK 0 15.884 0.887 0.711 0.00 0.00 C+0 HETATM 91 O UNK 0 17.275 0.867 1.007 0.00 0.00 O+0 HETATM 92 C UNK 0 17.455 1.797 2.059 0.00 0.00 C+0 HETATM 93 C UNK 0 18.669 1.454 2.834 0.00 0.00 C+0 HETATM 94 O UNK 0 19.821 1.450 2.068 0.00 0.00 O+0 HETATM 95 C UNK 0 17.595 3.135 1.393 0.00 0.00 C+0 HETATM 96 O UNK 0 17.352 4.140 2.334 0.00 0.00 O+0 HETATM 97 C UNK 0 16.622 3.246 0.233 0.00 0.00 C+0 HETATM 98 O UNK 0 16.121 4.545 0.263 0.00 0.00 O+0 HETATM 99 C UNK 0 15.448 2.325 0.519 0.00 0.00 C+0 HETATM 100 O UNK 0 14.537 2.381 -0.543 0.00 0.00 O+0 HETATM 101 H UNK 0 23.610 1.179 0.129 0.00 0.00 H+0 HETATM 102 H UNK 0 22.343 2.260 0.878 0.00 0.00 H+0 HETATM 103 H UNK 0 22.243 0.422 0.957 0.00 0.00 H+0 HETATM 104 H UNK 0 22.431 1.265 -1.783 0.00 0.00 H+0 HETATM 105 H UNK 0 19.951 2.200 -0.731 0.00 0.00 H+0 HETATM 106 H UNK 0 20.211 -0.087 -0.168 0.00 0.00 H+0 HETATM 107 H UNK 0 21.563 -0.883 -1.048 0.00 0.00 H+0 HETATM 108 H UNK 0 19.516 1.001 -2.297 0.00 0.00 H+0 HETATM 109 H UNK 0 20.856 0.214 -3.163 0.00 0.00 H+0 HETATM 110 H UNK 0 18.739 -1.062 -3.549 0.00 0.00 H+0 HETATM 111 H UNK 0 19.892 -2.088 -2.547 0.00 0.00 H+0 HETATM 112 H UNK 0 17.666 -0.344 -1.583 0.00 0.00 H+0 HETATM 113 H UNK 0 18.766 -1.437 -0.559 0.00 0.00 H+0 HETATM 114 H UNK 0 17.029 -2.289 -2.899 0.00 0.00 H+0 HETATM 115 H UNK 0 18.222 -3.340 -2.132 0.00 0.00 H+0 HETATM 116 H UNK 0 16.126 -4.049 -1.437 0.00 0.00 H+0 HETATM 117 H UNK 0 16.866 -3.336 0.028 0.00 0.00 H+0 HETATM 118 H UNK 0 14.535 -2.253 -1.740 0.00 0.00 H+0 HETATM 119 H UNK 0 14.497 -3.079 -0.194 0.00 0.00 H+0 HETATM 120 H UNK 0 15.056 -1.157 1.071 0.00 0.00 H+0 HETATM 121 H UNK 0 13.142 -0.683 -1.149 0.00 0.00 H+0 HETATM 122 H UNK 0 13.278 0.219 0.474 0.00 0.00 H+0 HETATM 123 H UNK 0 12.717 -2.761 -0.036 0.00 0.00 H+0 HETATM 124 H UNK 0 13.194 -2.074 1.527 0.00 0.00 H+0 HETATM 125 H UNK 0 10.873 -2.408 1.507 0.00 0.00 H+0 HETATM 126 H UNK 0 11.261 -0.669 1.682 0.00 0.00 H+0 HETATM 127 H UNK 0 10.601 -0.145 -0.544 0.00 0.00 H+0 HETATM 128 H UNK 0 9.313 -0.891 0.393 0.00 0.00 H+0 HETATM 129 H UNK 0 9.939 -3.166 -0.987 0.00 0.00 H+0 HETATM 130 H UNK 0 10.971 -2.038 -1.907 0.00 0.00 H+0 HETATM 131 H UNK 0 9.114 -0.695 -2.547 0.00 0.00 H+0 HETATM 132 H UNK 0 8.734 -2.445 -2.885 0.00 0.00 H+0 HETATM 133 H UNK 0 6.844 -1.340 -2.102 0.00 0.00 H+0 HETATM 134 H UNK 0 7.649 -0.683 -0.685 0.00 0.00 H+0 HETATM 135 H UNK 0 8.189 -3.298 -0.171 0.00 0.00 H+0 HETATM 136 H UNK 0 7.193 -3.594 -1.581 0.00 0.00 H+0 HETATM 137 H UNK 0 6.131 -4.133 0.483 0.00 0.00 H+0 HETATM 138 H UNK 0 5.155 -2.931 -0.338 0.00 0.00 H+0 HETATM 139 H UNK 0 7.019 -2.667 2.110 0.00 0.00 H+0 HETATM 140 H UNK 0 5.269 -2.811 2.109 0.00 0.00 H+0 HETATM 141 H UNK 0 6.038 -0.709 2.848 0.00 0.00 H+0 HETATM 142 H UNK 0 6.760 -0.285 1.245 0.00 0.00 H+0 HETATM 143 H UNK 0 4.721 0.814 1.568 0.00 0.00 H+0 HETATM 144 H UNK 0 3.409 -1.255 -0.256 0.00 0.00 H+0 HETATM 145 H UNK 0 4.973 -0.611 -0.666 0.00 0.00 H+0 HETATM 146 H UNK 0 1.176 2.811 -0.801 0.00 0.00 H+0 HETATM 147 H UNK 0 1.723 2.600 -2.456 0.00 0.00 H+0 HETATM 148 H UNK 0 0.016 0.367 -2.100 0.00 0.00 H+0 HETATM 149 H UNK 0 -2.159 0.204 -1.362 0.00 0.00 H+0 HETATM 150 H UNK 0 -3.024 -0.685 0.475 0.00 0.00 H+0 HETATM 151 H UNK 0 -5.414 1.057 0.405 0.00 0.00 H+0 HETATM 152 H UNK 0 -4.814 -0.079 -0.890 0.00 0.00 H+0 HETATM 153 H UNK 0 -4.875 -1.987 0.437 0.00 0.00 H+0 HETATM 154 H UNK 0 -5.215 -1.123 1.927 0.00 0.00 H+0 HETATM 155 H UNK 0 -7.027 -2.501 1.217 0.00 0.00 H+0 HETATM 156 H UNK 0 -7.049 -1.840 -0.409 0.00 0.00 H+0 HETATM 157 H UNK 0 -7.559 -0.331 2.225 0.00 0.00 H+0 HETATM 158 H UNK 0 -8.908 -1.192 1.564 0.00 0.00 H+0 HETATM 159 H UNK 0 -7.588 1.464 0.889 0.00 0.00 H+0 HETATM 160 H UNK 0 -9.245 1.014 1.183 0.00 0.00 H+0 HETATM 161 H UNK 0 -8.917 1.908 -0.999 0.00 0.00 H+0 HETATM 162 H UNK 0 -7.998 0.519 -1.592 0.00 0.00 H+0 HETATM 163 H UNK 0 -10.144 0.424 -2.368 0.00 0.00 H+0 HETATM 164 H UNK 0 -10.912 0.654 -0.825 0.00 0.00 H+0 HETATM 165 H UNK 0 -9.557 -1.848 -0.388 0.00 0.00 H+0 HETATM 166 H UNK 0 -9.315 -1.689 -2.110 0.00 0.00 H+0 HETATM 167 H UNK 0 -11.023 -3.146 -1.627 0.00 0.00 H+0 HETATM 168 H UNK 0 -11.741 -1.823 -2.526 0.00 0.00 H+0 HETATM 169 H UNK 0 -11.864 -2.578 0.457 0.00 0.00 H+0 HETATM 170 H UNK 0 -13.161 -2.859 -0.681 0.00 0.00 H+0 HETATM 171 H UNK 0 -12.220 -0.206 0.619 0.00 0.00 H+0 HETATM 172 H UNK 0 -13.548 -1.206 1.052 0.00 0.00 H+0 HETATM 173 H UNK 0 -13.097 0.439 -1.541 0.00 0.00 H+0 HETATM 174 H UNK 0 -13.979 0.976 -0.131 0.00 0.00 H+0 HETATM 175 H UNK 0 -15.420 0.499 -2.037 0.00 0.00 H+0 HETATM 176 H UNK 0 -14.765 -1.113 -2.290 0.00 0.00 H+0 HETATM 177 H UNK 0 -16.614 -0.084 -0.134 0.00 0.00 H+0 HETATM 178 H UNK 0 -15.835 -3.007 -0.842 0.00 0.00 H+0 HETATM 179 H UNK 0 -15.311 -2.255 0.736 0.00 0.00 H+0 HETATM 180 H UNK 0 -18.091 -3.106 -0.139 0.00 0.00 H+0 HETATM 181 H UNK 0 -16.959 -3.802 1.009 0.00 0.00 H+0 HETATM 182 H UNK 0 -18.722 -2.729 2.245 0.00 0.00 H+0 HETATM 183 H UNK 0 -17.121 -2.143 2.650 0.00 0.00 H+0 HETATM 184 H UNK 0 -17.474 0.001 1.766 0.00 0.00 H+0 HETATM 185 H UNK 0 -19.052 -0.408 0.977 0.00 0.00 H+0 HETATM 186 H UNK 0 -19.853 -1.033 3.349 0.00 0.00 H+0 HETATM 187 H UNK 0 -18.265 -0.486 3.958 0.00 0.00 H+0 HETATM 188 H UNK 0 -19.957 1.349 4.084 0.00 0.00 H+0 HETATM 189 H UNK 0 -17.505 1.914 3.516 0.00 0.00 H+0 HETATM 190 H UNK 0 -18.770 3.066 3.001 0.00 0.00 H+0 HETATM 191 H UNK 0 -18.090 1.937 1.783 0.00 0.00 H+0 HETATM 192 H UNK 0 -20.539 2.156 1.901 0.00 0.00 H+0 HETATM 193 H UNK 0 -17.956 0.624 -0.938 0.00 0.00 H+0 HETATM 194 H UNK 0 -18.215 2.378 -1.597 0.00 0.00 H+0 HETATM 195 H UNK 0 -18.590 4.044 -3.238 0.00 0.00 H+0 HETATM 196 H UNK 0 -18.437 2.910 -4.605 0.00 0.00 H+0 HETATM 197 H UNK 0 -16.323 2.999 -4.361 0.00 0.00 H+0 HETATM 198 H UNK 0 -20.276 1.836 -3.788 0.00 0.00 H+0 HETATM 199 H UNK 0 -21.170 2.712 -1.463 0.00 0.00 H+0 HETATM 200 H UNK 0 -20.777 0.813 -0.968 0.00 0.00 H+0 HETATM 201 H UNK 0 -22.359 0.031 -2.086 0.00 0.00 H+0 HETATM 202 H UNK 0 -19.465 -0.795 -3.192 0.00 0.00 H+0 HETATM 203 H UNK 0 -20.105 -2.342 -1.940 0.00 0.00 H+0 HETATM 204 H UNK 0 -3.001 1.483 2.441 0.00 0.00 H+0 HETATM 205 H UNK 0 -4.572 0.698 2.458 0.00 0.00 H+0 HETATM 206 H UNK 0 -0.649 -2.599 3.968 0.00 0.00 H+0 HETATM 207 H UNK 0 -0.341 -0.868 4.249 0.00 0.00 H+0 HETATM 208 H UNK 0 0.270 -2.597 1.876 0.00 0.00 H+0 HETATM 209 H UNK 0 2.169 -0.750 1.178 0.00 0.00 H+0 HETATM 210 H UNK 0 1.696 0.566 3.820 0.00 0.00 H+0 HETATM 211 H UNK 0 2.217 2.541 2.396 0.00 0.00 H+0 HETATM 212 H UNK 0 0.854 1.469 1.145 0.00 0.00 H+0 HETATM 213 H UNK 0 0.068 1.741 3.613 0.00 0.00 H+0 HETATM 214 H UNK 0 -0.972 -0.468 1.480 0.00 0.00 H+0 HETATM 215 H UNK 0 -0.318 -1.318 -0.329 0.00 0.00 H+0 HETATM 216 H UNK 0 -2.400 3.204 -1.834 0.00 0.00 H+0 HETATM 217 H UNK 0 -4.197 2.064 -3.400 0.00 0.00 H+0 HETATM 218 H UNK 0 -2.049 0.864 -3.803 0.00 0.00 H+0 HETATM 219 H UNK 0 -1.541 3.357 -4.732 0.00 0.00 H+0 HETATM 220 H UNK 0 0.181 1.784 -4.016 0.00 0.00 H+0 HETATM 221 H UNK 0 0.179 3.833 -3.783 0.00 0.00 H+0 HETATM 222 H UNK 0 15.433 0.513 1.663 0.00 0.00 H+0 HETATM 223 H UNK 0 16.558 1.763 2.734 0.00 0.00 H+0 HETATM 224 H UNK 0 18.555 0.532 3.449 0.00 0.00 H+0 HETATM 225 H UNK 0 18.844 2.261 3.627 0.00 0.00 H+0 HETATM 226 H UNK 0 20.218 2.354 1.979 0.00 0.00 H+0 HETATM 227 H UNK 0 18.620 3.209 0.976 0.00 0.00 H+0 HETATM 228 H UNK 0 17.849 4.953 2.001 0.00 0.00 H+0 HETATM 229 H UNK 0 17.079 3.045 -0.742 0.00 0.00 H+0 HETATM 230 H UNK 0 15.332 4.656 0.849 0.00 0.00 H+0 HETATM 231 H UNK 0 14.948 2.676 1.416 0.00 0.00 H+0 HETATM 232 H UNK 0 15.021 2.375 -1.409 0.00 0.00 H+0 CONECT 1 2 101 102 103 CONECT 2 1 3 4 104 CONECT 3 2 105 CONECT 4 2 5 106 107 CONECT 5 4 6 108 109 CONECT 6 5 7 110 111 CONECT 7 6 8 112 113 CONECT 8 7 9 114 115 CONECT 9 8 10 116 117 CONECT 10 9 11 118 119 CONECT 11 10 12 89 120 CONECT 12 11 13 121 122 CONECT 13 12 14 123 124 CONECT 14 13 15 125 126 CONECT 15 14 16 127 128 CONECT 16 15 17 129 130 CONECT 17 16 18 131 132 CONECT 18 17 19 133 134 CONECT 19 18 20 135 136 CONECT 20 19 21 137 138 CONECT 21 20 22 139 140 CONECT 22 21 23 141 142 CONECT 23 22 24 76 143 CONECT 24 23 25 144 145 CONECT 25 24 26 27 CONECT 26 25 CONECT 27 25 28 CONECT 28 27 29 146 147 CONECT 29 28 30 87 148 CONECT 30 29 31 CONECT 31 30 32 83 149 CONECT 32 31 33 CONECT 33 32 34 68 150 CONECT 34 33 35 151 152 CONECT 35 34 36 153 154 CONECT 36 35 37 155 156 CONECT 37 36 38 157 158 CONECT 38 37 39 159 160 CONECT 39 38 40 161 162 CONECT 40 39 41 163 164 CONECT 41 40 42 165 166 CONECT 42 41 43 167 168 CONECT 43 42 44 169 170 CONECT 44 43 45 171 172 CONECT 45 44 46 173 174 CONECT 46 45 47 175 176 CONECT 47 46 48 56 177 CONECT 48 47 49 178 179 CONECT 49 48 50 180 181 CONECT 50 49 51 182 183 CONECT 51 50 52 184 185 CONECT 52 51 53 186 187 CONECT 53 52 54 55 188 CONECT 54 53 189 190 191 CONECT 55 53 192 CONECT 56 47 57 CONECT 57 56 58 66 193 CONECT 58 57 59 CONECT 59 58 60 62 194 CONECT 60 59 61 195 196 CONECT 61 60 197 CONECT 62 59 63 64 198 CONECT 63 62 199 CONECT 64 62 65 66 200 CONECT 65 64 201 CONECT 66 64 67 57 202 CONECT 67 66 203 CONECT 68 33 69 204 205 CONECT 69 68 70 71 CONECT 70 69 CONECT 71 69 72 CONECT 72 71 73 206 207 CONECT 73 72 74 81 208 CONECT 74 73 75 CONECT 75 74 76 77 209 CONECT 76 75 23 CONECT 77 75 78 79 210 CONECT 78 77 211 CONECT 79 77 80 81 212 CONECT 80 79 213 CONECT 81 79 82 73 214 CONECT 82 81 215 CONECT 83 31 84 85 216 CONECT 84 83 217 CONECT 85 83 86 87 218 CONECT 86 85 219 CONECT 87 85 88 29 220 CONECT 88 87 221 CONECT 89 11 90 CONECT 90 89 91 99 222 CONECT 91 90 92 CONECT 92 91 93 95 223 CONECT 93 92 94 224 225 CONECT 94 93 226 CONECT 95 92 96 97 227 CONECT 96 95 228 CONECT 97 95 98 99 229 CONECT 98 97 230 CONECT 99 97 100 90 231 CONECT 100 99 232 CONECT 101 1 CONECT 102 1 CONECT 103 1 CONECT 104 2 CONECT 105 3 CONECT 106 4 CONECT 107 4 CONECT 108 5 CONECT 109 5 CONECT 110 6 CONECT 111 6 CONECT 112 7 CONECT 113 7 CONECT 114 8 CONECT 115 8 CONECT 116 9 CONECT 117 9 CONECT 118 10 CONECT 119 10 CONECT 120 11 CONECT 121 12 CONECT 122 12 CONECT 123 13 CONECT 124 13 CONECT 125 14 CONECT 126 14 CONECT 127 15 CONECT 128 15 CONECT 129 16 CONECT 130 16 CONECT 131 17 CONECT 132 17 CONECT 133 18 CONECT 134 18 CONECT 135 19 CONECT 136 19 CONECT 137 20 CONECT 138 20 CONECT 139 21 CONECT 140 21 CONECT 141 22 CONECT 142 22 CONECT 143 23 CONECT 144 24 CONECT 145 24 CONECT 146 28 CONECT 147 28 CONECT 148 29 CONECT 149 31 CONECT 150 33 CONECT 151 34 CONECT 152 34 CONECT 153 35 CONECT 154 35 CONECT 155 36 CONECT 156 36 CONECT 157 37 CONECT 158 37 CONECT 159 38 CONECT 160 38 CONECT 161 39 CONECT 162 39 CONECT 163 40 CONECT 164 40 CONECT 165 41 CONECT 166 41 CONECT 167 42 CONECT 168 42 CONECT 169 43 CONECT 170 43 CONECT 171 44 CONECT 172 44 CONECT 173 45 CONECT 174 45 CONECT 175 46 CONECT 176 46 CONECT 177 47 CONECT 178 48 CONECT 179 48 CONECT 180 49 CONECT 181 49 CONECT 182 50 CONECT 183 50 CONECT 184 51 CONECT 185 51 CONECT 186 52 CONECT 187 52 CONECT 188 53 CONECT 189 54 CONECT 190 54 CONECT 191 54 CONECT 192 55 CONECT 193 57 CONECT 194 59 CONECT 195 60 CONECT 196 60 CONECT 197 61 CONECT 198 62 CONECT 199 63 CONECT 200 64 CONECT 201 65 CONECT 202 66 CONECT 203 67 CONECT 204 68 CONECT 205 68 CONECT 206 72 CONECT 207 72 CONECT 208 73 CONECT 209 75 CONECT 210 77 CONECT 211 78 CONECT 212 79 CONECT 213 80 CONECT 214 81 CONECT 215 82 CONECT 216 83 CONECT 217 84 CONECT 218 85 CONECT 219 86 CONECT 220 87 CONECT 221 88 CONECT 222 90 CONECT 223 92 CONECT 224 93 CONECT 225 93 CONECT 226 94 CONECT 227 95 CONECT 228 96 CONECT 229 97 CONECT 230 98 CONECT 231 99 CONECT 232 100 MASTER 0 0 0 0 0 0 0 0 232 0 472 0 END SMILES for NP0003623 (Fattiviracin FV-9)[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])([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])([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 NP0003623 (Fattiviracin FV-9)InChI=1S/C72H132O28/c1-45(75)31-23-16-15-21-27-35-47(93-69-65(87)61(83)57(79)51(41-73)97-69)33-25-18-12-9-6-10-14-20-29-38-50-40-56(78)92-44-53-59(81)63(85)67(89)71(99-53)95-49(39-55(77)91-43-54-60(82)64(86)68(90)72(96-50)100-54)37-28-19-13-8-5-3-4-7-11-17-26-34-48(36-30-22-24-32-46(2)76)94-70-66(88)62(84)58(80)52(42-74)98-70/h45-54,57-76,79-90H,3-44H2,1-2H3/t45-,46+,47-,48+,49+,50-,51-,52-,53+,54-,57-,58-,59-,60-,61-,62+,63-,64+,65+,66-,67+,68-,69-,70-,71+,72-/m0/s1 3D Structure for NP0003623 (Fattiviracin FV-9) | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C72H132O28 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1445.8200 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1444.89051 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (1S,3S,8R,9R,10S,11R,12R,14R,19S,20R,21R,22S)-9,10,11,20,21,22-hexahydroxy-3-[(12S,20S)-20-hydroxy-12-{[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}henicosyl]-14-[(14R,20R)-20-hydroxy-14-{[(2S,3S,4R,5R,6S)-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,9R,10S,11R,12R,14R,19S,20R,21R,22S)-9,10,11,20,21,22-hexahydroxy-3-[(12S,20S)-20-hydroxy-12-{[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}henicosyl]-14-[(14R,20R)-20-hydroxy-14-{[(2S,3S,4R,5R,6S)-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)CCCCCCCC(CCCCCCCCCCCC1CC(=O)OCC2OC(OC(CCCCCCCCCCCCCC(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/C72H132O28/c1-45(75)31-23-16-15-21-27-35-47(93-69-65(87)61(83)57(79)51(41-73)97-69)33-25-18-12-9-6-10-14-20-29-38-50-40-56(78)92-44-53-59(81)63(85)67(89)71(99-53)95-49(39-55(77)91-43-54-60(82)64(86)68(90)72(96-50)100-54)37-28-19-13-8-5-3-4-7-11-17-26-34-48(36-30-22-24-32-46(2)76)94-70-66(88)62(84)58(80)52(42-74)98-70/h45-54,57-76,79-90H,3-44H2,1-2H3 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | DEJNSCKRVOUASS-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 | NPA004014 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 78443970 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 85106546 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | ||||||||||||||||||||||||||||||||||||||||||||||||||||
