Showing NP-Card for Minnamide A (NP0019208)
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-06 04:47:04 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:30:21 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0019208 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Minnamide A | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Minnamide A is found in Okeania hirsuta. Minnamide A was first documented in 2019 (PMID: 30730753). Based on a literature review very few articles have been published on Minnamide A. | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0019208 (Minnamide A)
Mrv1652307042107443D
234234 0 0 0 0 999 V2000
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37158 1 1 0 0 0
40159 1 0 0 0 0
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102233 1 0 0 0 0
102234 1 0 0 0 0
M END
3D MOL for NP0019208 (Minnamide A)
RDKit 3D
234234 0 0 0 0 0 0 0 0999 V2000
2.7453 10.0761 3.2605 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5782 9.0554 4.3636 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.7473 10.3501 2.8123 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1942 11.0173 3.6183 H 0 0 0 0 0 0 0 0 0 0 0 0
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1.6437 8.5097 4.1814 H 0 0 0 0 0 0 0 0 0 0 0 0
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67 93 1 0
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93 95 1 0
56 96 1 0
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92 85 1 0
1103 1 0
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10120 1 1
11121 1 0
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100227 1 0
100228 1 0
100229 1 0
101230 1 0
101231 1 0
102232 1 0
102233 1 0
102234 1 0
M END
3D SDF for NP0019208 (Minnamide A)
Mrv1652307042107443D
234234 0 0 0 0 999 V2000
2.7453 10.0761 3.2605 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5782 9.0554 4.3636 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8098 8.1538 4.4755 C 0 0 1 0 0 0 0 0 0 0 0 0
3.6748 7.1381 5.5349 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4602 7.8021 6.7659 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6856 6.0510 5.4049 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8165 5.0715 4.3011 C 0 0 2 0 0 0 0 0 0 0 0 0
2.7984 5.7588 2.9542 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6512 4.0883 4.2283 C 0 0 1 0 0 0 0 0 0 0 0 0
1.4025 3.2205 5.3772 C 0 0 1 0 0 0 0 0 0 0 0 0
1.1428 4.0609 6.5156 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1751 2.4064 5.2719 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.0451 1.4355 4.1888 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.1013 1.8868 2.7892 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1916 0.5527 4.6272 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.6168 -0.5070 3.6677 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.5579 -1.3661 3.3324 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5840 -1.4550 4.4366 C 0 0 2 0 0 0 0 0 0 0 0 0
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-4.5275 -1.8645 5.7820 C 0 0 0 0 0 0 0 0 0 0 0 0
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-5.9887 0.2275 4.5491 C 0 0 2 0 0 0 0 0 0 0 0 0
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-5.6199 1.7111 4.7775 C 0 0 1 0 0 0 0 0 0 0 0 0
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-6.3844 6.2333 2.7229 C 0 0 2 0 0 0 0 0 0 0 0 0
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-2.2866 -3.2861 -2.0006 C 0 0 2 0 0 0 0 0 0 0 0 0
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0.2689 -4.4400 0.4428 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.5580 -4.5917 0.9349 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3216 -3.4746 1.5442 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3247 -3.7798 3.0571 C 0 0 2 0 0 0 0 0 0 0 0 0
2.9232 -2.8442 3.8047 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6981 -3.5667 1.0530 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9295 -4.6886 0.4036 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7857 -2.6972 1.1391 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0459 -3.1596 0.4682 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9493 -1.4474 1.8050 C 0 0 2 0 0 0 0 0 0 0 0 0
5.3383 -0.3974 0.8050 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9512 0.6294 1.3652 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1961 -0.2733 -0.5418 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8021 0.9670 -1.1541 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5323 -1.1227 -1.4685 C 0 0 1 0 0 0 0 0 0 0 0 0
3.3662 -0.2656 -2.0209 C 0 0 2 0 0 0 0 0 0 0 0 0
2.4815 0.1532 -0.8805 C 0 0 1 0 0 0 0 0 0 0 0 0
1.3523 0.9857 -1.4391 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4720 1.6928 -0.5902 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1747 1.0654 -2.6770 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4159 -1.4737 -2.6234 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.4362 -1.5809 -6.1024 C 0 0 2 0 0 0 0 0 0 0 0 0
5.5670 -0.2210 -5.7630 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9766 -3.8599 -5.2652 C 0 0 1 0 0 0 0 0 0 0 0 0
4.7527 -4.5761 -5.6659 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3032 -4.5657 -6.9786 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1799 -5.2482 -7.3759 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4424 -5.9849 -6.4691 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3145 -6.6628 -6.9095 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5163 -7.4321 -6.0610 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8732 -6.0074 -5.1634 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0060 -5.3149 -4.7746 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1651 -1.5315 2.7596 C 0 0 2 0 0 0 0 0 0 0 0 0
6.0156 -2.6777 3.7466 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2063 -0.2269 3.5423 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.3878 -6.4799 -1.3337 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.1103 4.9829 -1.8475 C 0 0 1 0 0 0 0 0 0 0 0 0
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-0.7562 3.8086 -3.6813 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3090 9.6293 2.4144 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7473 10.3501 2.8123 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1942 11.0173 3.6183 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4141 9.5769 5.3502 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6437 8.5097 4.1814 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2121 7.8496 3.5095 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6050 8.8862 4.8642 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7287 6.7121 5.6924 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6116 7.2148 7.5276 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6373 5.5146 6.4091 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6678 6.5369 5.3451 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7766 4.5024 4.4440 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3048 5.0679 2.1790 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8527 5.7716 2.5934 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2371 6.6680 2.8828 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7561 4.6780 3.9529 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8441 3.4156 3.3233 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2963 2.6442 5.7263 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8602 3.4151 7.2201 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0337 1.8315 6.2524 H 0 0 0 0 0 0 0 0 0 0 0 0
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49 50 1 0 0 0 0
49 51 1 0 0 0 0
47 52 1 0 0 0 0
52 53 2 0 0 0 0
52 54 1 0 0 0 0
54 55 1 0 0 0 0
54 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 2 0 0 0 0
57 59 1 0 0 0 0
59 60 1 0 0 0 0
60 61 1 0 0 0 0
61 62 1 0 0 0 0
60 63 1 0 0 0 0
63 64 2 0 0 0 0
63 65 1 0 0 0 0
65 66 1 0 0 0 0
65 67 1 0 0 0 0
67 68 1 0 0 0 0
68 69 2 0 0 0 0
68 70 1 0 0 0 0
70 71 1 0 0 0 0
70 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 2 0 0 0 0
72 78 1 0 0 0 0
78 79 2 0 0 0 0
78 80 1 0 0 0 0
80 81 1 0 0 0 0
81 82 1 0 0 0 0
82 83 1 0 0 0 0
81 84 1 0 0 0 0
84 85 1 0 0 0 0
85 86 2 0 0 0 0
86 87 1 0 0 0 0
87 88 2 0 0 0 0
88 89 1 0 0 0 0
89 90 1 0 0 0 0
88 91 1 0 0 0 0
91 92 2 0 0 0 0
67 93 1 0 0 0 0
93 94 1 0 0 0 0
93 95 1 0 0 0 0
56 96 1 0 0 0 0
96 97 1 0 0 0 0
96 98 1 0 0 0 0
37 99 1 0 0 0 0
99100 1 0 0 0 0
99101 1 0 0 0 0
101102 1 0 0 0 0
92 85 1 0 0 0 0
1103 1 0 0 0 0
1104 1 0 0 0 0
1105 1 0 0 0 0
2106 1 0 0 0 0
2107 1 0 0 0 0
3108 1 0 0 0 0
3109 1 0 0 0 0
4110 1 1 0 0 0
5111 1 0 0 0 0
6112 1 0 0 0 0
6113 1 0 0 0 0
7114 1 1 0 0 0
8115 1 0 0 0 0
8116 1 0 0 0 0
8117 1 0 0 0 0
9118 1 0 0 0 0
9119 1 0 0 0 0
10120 1 1 0 0 0
11121 1 0 0 0 0
12122 1 0 0 0 0
12123 1 0 0 0 0
13124 1 6 0 0 0
14125 1 0 0 0 0
14126 1 0 0 0 0
14127 1 0 0 0 0
15128 1 0 0 0 0
15129 1 0 0 0 0
16130 1 6 0 0 0
17131 1 0 0 0 0
18132 1 0 0 0 0
18133 1 0 0 0 0
19134 1 1 0 0 0
20135 1 0 0 0 0
20136 1 0 0 0 0
20137 1 0 0 0 0
21138 1 0 0 0 0
21139 1 0 0 0 0
22140 1 1 0 0 0
23141 1 0 0 0 0
24142 1 0 0 0 0
24143 1 0 0 0 0
27144 1 0 0 0 0
28145 1 6 0 0 0
29146 1 0 0 0 0
29147 1 0 0 0 0
30148 1 6 0 0 0
31149 1 0 0 0 0
31150 1 0 0 0 0
31151 1 0 0 0 0
32152 1 0 0 0 0
32153 1 0 0 0 0
32154 1 0 0 0 0
36155 1 0 0 0 0
36156 1 0 0 0 0
36157 1 0 0 0 0
37158 1 1 0 0 0
40159 1 0 0 0 0
41160 1 6 0 0 0
42161 1 0 0 0 0
42162 1 0 0 0 0
43163 1 0 0 0 0
46164 1 0 0 0 0
47165 1 1 0 0 0
48166 1 0 0 0 0
48167 1 0 0 0 0
49168 1 6 0 0 0
50169 1 0 0 0 0
50170 1 0 0 0 0
50171 1 0 0 0 0
51172 1 0 0 0 0
51173 1 0 0 0 0
51174 1 0 0 0 0
55175 1 0 0 0 0
55176 1 0 0 0 0
55177 1 0 0 0 0
56178 1 1 0 0 0
59179 1 0 0 0 0
60180 1 1 0 0 0
61181 1 0 0 0 0
61182 1 0 0 0 0
62183 1 0 0 0 0
66184 1 0 0 0 0
66185 1 0 0 0 0
66186 1 0 0 0 0
67187 1 1 0 0 0
71188 1 0 0 0 0
71189 1 0 0 0 0
71190 1 0 0 0 0
72191 1 1 0 0 0
73192 1 0 0 0 0
73193 1 0 0 0 0
74194 1 0 0 0 0
74195 1 0 0 0 0
76196 1 0 0 0 0
76197 1 0 0 0 0
80198 1 0 0 0 0
81199 1 1 0 0 0
82200 1 0 0 0 0
82201 1 0 0 0 0
83202 1 0 0 0 0
84203 1 0 0 0 0
84204 1 0 0 0 0
86205 1 0 0 0 0
87206 1 0 0 0 0
90207 1 0 0 0 0
90208 1 0 0 0 0
90209 1 0 0 0 0
91210 1 0 0 0 0
92211 1 0 0 0 0
93212 1 6 0 0 0
94213 1 0 0 0 0
94214 1 0 0 0 0
94215 1 0 0 0 0
95216 1 0 0 0 0
95217 1 0 0 0 0
95218 1 0 0 0 0
96219 1 6 0 0 0
97220 1 0 0 0 0
97221 1 0 0 0 0
97222 1 0 0 0 0
98223 1 0 0 0 0
98224 1 0 0 0 0
98225 1 0 0 0 0
99226 1 6 0 0 0
100227 1 0 0 0 0
100228 1 0 0 0 0
100229 1 0 0 0 0
101230 1 0 0 0 0
101231 1 0 0 0 0
102232 1 0 0 0 0
102233 1 0 0 0 0
102234 1 0 0 0 0
M END
> <DATABASE_ID>
NP0019208
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC([H])([H])[C@@]([H])(N([H])C(=O)[C@]([H])(N(C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])[C@]([H])(O[H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])[C@]([H])(O[H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C(=O)N([H])[C@@]([H])(C(=O)N(C([H])([H])[H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N(C([H])([H])[H])[C@]([H])(C(=O)N(C([H])([H])[H])[C@]([H])(C(=O)N([H])[C@]([H])(C([H])([H])O[H])C([H])([H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])O[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C74H132N10O18/c1-20-22-52(88)31-46(11)32-53(89)33-47(12)34-54(90)35-48(13)36-55(91)38-63(93)77-57(29-42(3)4)71(98)84(18)66(49(14)21-2)70(97)79-59(40-86)67(94)78-58(30-43(5)6)72(99)82(16)64(44(7)8)69(96)80-60(41-87)73(100)83(17)65(45(9)10)74(101)81(15)61(27-28-62(75)92)68(95)76-51(39-85)37-50-23-25-56(102-19)26-24-50/h23-26,42-49,51-55,57-61,64-66,85-91H,20-22,27-41H2,1-19H3,(H2,75,92)(H,76,95)(H,77,93)(H,78,94)(H,79,97)(H,80,96)/t46-,47-,48-,49-,51-,52+,53+,54+,55-,57-,58+,59+,60-,61-,64-,65-,66+/m0/s1
> <INCHI_KEY>
QGFKIJHYWFMMLE-KPZCQLIWSA-N
> <FORMULA>
C74H132N10O18
> <MOLECULAR_WEIGHT>
1449.922
> <EXACT_MASS>
1448.97210745
> <JCHEM_ACCEPTOR_COUNT>
18
> <JCHEM_ATOM_COUNT>
234
> <JCHEM_AVERAGE_POLARIZABILITY>
159.5438205546617
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
13
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-[(2R,3S)-2-[(2S)-N,4-dimethyl-2-[(3S,5S,7R,9S,11R,13S,15R)-3,7,11,15-tetrahydroxy-5,9,13-trimethyloctadecanamido]pentanamido]-3-methylpentanamido]-3-hydroxypropanamido]-N,4-dimethylpentanamido]-3-methylbutanamido]-3-hydroxy-N-methylpropanamido]-N,3-dimethylbutanamido]-N-[(2S)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]pentanediamide
> <JCHEM_LOGP>
2.2215859890000007
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
1
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
12.143125223547624
> <JCHEM_PKA_STRONGEST_ACIDIC>
11.72754752921618
> <JCHEM_PKA_STRONGEST_BASIC>
-2.7859926839103855
> <JCHEM_POLAR_SURFACE_AREA>
420.66999999999996
> <JCHEM_REFRACTIVITY>
387.56860000000006
> <JCHEM_ROTATABLE_BOND_COUNT>
50
> <JCHEM_RULE_OF_FIVE>
0
> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-[(2R,3S)-2-[(2S)-N,4-dimethyl-2-[(3S,5S,7R,9S,11R,13S,15R)-3,7,11,15-tetrahydroxy-5,9,13-trimethyloctadecanamido]pentanamido]-3-methylpentanamido]-3-hydroxypropanamido]-N,4-dimethylpentanamido]-3-methylbutanamido]-3-hydroxy-N-methylpropanamido]-N,3-dimethylbutanamido]-N-[(2S)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]pentanediamide
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0019208 (Minnamide A)
RDKit 3D
234234 0 0 0 0 0 0 0 0999 V2000
2.7453 10.0761 3.2605 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5782 9.0554 4.3636 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8098 8.1538 4.4755 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6748 7.1381 5.5349 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4602 7.8021 6.7659 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6856 6.0510 5.4049 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8165 5.0715 4.3011 C 0 0 2 0 0 0 0 0 0 0 0 0
2.7984 5.7588 2.9542 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6512 4.0883 4.2283 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4025 3.2205 5.3772 C 0 0 1 0 0 0 0 0 0 0 0 0
1.1428 4.0609 6.5156 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1751 2.4064 5.2719 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0451 1.4355 4.1888 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.1013 1.8868 2.7892 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1916 0.5527 4.6272 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6168 -0.5070 3.6677 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.5579 -1.3661 3.3324 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5840 -1.4550 4.4366 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7941 -0.7628 4.9516 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.5275 -1.8645 5.7820 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8424 -0.4848 3.8500 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9887 0.2275 4.5491 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.0025 0.3643 3.5389 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6199 1.7111 4.7775 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5008 2.4043 3.4968 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9589 1.8245 2.4401 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9278 3.6781 3.3138 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.9350 4.2968 1.9862 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.1185 5.7826 2.0833 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3844 6.2333 2.7229 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.3434 7.7746 2.7002 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4896 5.8852 4.1994 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7355 3.9491 1.1807 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7813 3.4316 1.7980 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7341 4.2045 -0.2064 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.8586 4.8065 -0.8655 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5732 3.8143 -1.0623 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.1447 2.6758 -1.8945 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4186 2.8855 -3.0747 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3318 1.4324 -1.2445 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.8668 0.2617 -1.8444 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.2285 -0.0579 -1.2593 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0254 1.0542 -1.5299 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9358 -0.8816 -1.7571 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7815 -0.6375 -1.3248 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2774 -2.1905 -2.1205 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2866 -3.2861 -2.0006 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.5059 -4.1047 -3.2560 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2715 -3.3257 -4.5255 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.5369 -4.2947 -5.6683 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8253 -2.9295 -4.6093 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6432 -4.1386 -0.8455 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8554 -3.9228 -0.4374 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9266 -5.0928 -0.1493 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7169 -5.7921 0.9197 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5658 -5.5235 -0.1841 C 0 0 2 0 0 0 0 0 0 0 0 0
0.2689 -4.4400 0.4428 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2858 -3.2886 0.5208 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5580 -4.5917 0.9349 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3216 -3.4746 1.5442 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3247 -3.7798 3.0571 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9232 -2.8442 3.8047 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6981 -3.5667 1.0530 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9295 -4.6886 0.4036 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7857 -2.6972 1.1391 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0459 -3.1596 0.4682 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9493 -1.4474 1.8050 C 0 0 2 0 0 0 0 0 0 0 0 0
5.3383 -0.3974 0.8050 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9512 0.6294 1.3652 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1961 -0.2733 -0.5418 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8021 0.9670 -1.1541 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5323 -1.1227 -1.4685 C 0 0 1 0 0 0 0 0 0 0 0 0
3.3662 -0.2656 -2.0209 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4815 0.1532 -0.8805 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3523 0.9857 -1.4391 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4720 1.6928 -0.5902 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1747 1.0654 -2.6770 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4159 -1.4737 -2.6234 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6285 -1.1581 -2.5697 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9505 -2.1413 -3.7837 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8159 -2.4366 -4.8947 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4362 -1.5809 -6.1024 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5670 -0.2210 -5.7630 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9766 -3.8599 -5.2652 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7527 -4.5761 -5.6659 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3032 -4.5657 -6.9786 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1799 -5.2482 -7.3759 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4424 -5.9849 -6.4691 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3145 -6.6628 -6.9095 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5163 -7.4321 -6.0610 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8732 -6.0074 -5.1634 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0060 -5.3149 -4.7746 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1651 -1.5315 2.7596 C 0 0 2 0 0 0 0 0 0 0 0 0
6.0156 -2.6777 3.7466 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2063 -0.2269 3.5423 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0601 -6.0152 -1.4855 C 0 0 1 0 0 0 0 0 0 0 0 0
1.3878 -6.4799 -1.3337 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8537 -7.2384 -1.8846 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1103 4.9829 -1.8475 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7340 6.1208 -0.8247 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8483 4.8310 -2.6239 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7562 3.8086 -3.6813 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3090 9.6293 2.4144 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7473 10.3501 2.8123 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1942 11.0173 3.6183 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4141 9.5769 5.3502 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6437 8.5097 4.1814 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2121 7.8496 3.5095 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6050 8.8862 4.8642 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7287 6.7121 5.6924 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6116 7.2148 7.5276 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6373 5.5146 6.4091 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6678 6.5369 5.3451 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7766 4.5024 4.4440 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3048 5.0679 2.1790 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8527 5.7716 2.5934 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2371 6.6680 2.8828 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7561 4.6780 3.9529 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8441 3.4156 3.3233 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2963 2.6442 5.7263 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8602 3.4151 7.2201 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0337 1.8315 6.2524 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7003 3.1383 5.3415 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8487 0.6840 4.2038 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8007 1.7110 2.1714 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3340 2.9633 2.7356 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9630 1.3845 2.2345 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0448 1.2625 4.8238 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9472 0.1271 5.6275 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1638 -0.1364 2.8192 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3403 -1.9111 4.1168 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0324 -2.0202 5.1886 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9405 -2.2176 3.6849 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5692 0.1109 5.5165 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0715 -2.4855 5.0802 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1441 -1.3768 6.5254 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7440 -2.4488 6.3168 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2224 -1.4149 3.4354 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4624 0.1589 3.0646 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3981 -0.2723 5.3792 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8491 0.5162 4.0257 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4557 2.1256 5.3772 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6991 1.8091 5.3540 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4985 4.1863 4.0914 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8512 3.8696 1.4696 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2875 6.1629 2.7718 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9578 6.3175 1.1383 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2853 5.9204 2.2013 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1914 8.0630 1.6475 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2102 8.2117 3.1930 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3731 8.0238 3.2229 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7808 4.8371 4.3483 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3291 6.4803 4.6697 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5908 6.1959 4.7619 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8155 4.7200 -0.3366 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7121 5.8578 -1.1818 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9606 4.2626 -1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0
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M END
PDB for NP0019208 (Minnamide A)HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 C UNK 0 2.745 10.076 3.260 0.00 0.00 C+0 HETATM 2 C UNK 0 2.578 9.055 4.364 0.00 0.00 C+0 HETATM 3 C UNK 0 3.810 8.154 4.476 0.00 0.00 C+0 HETATM 4 C UNK 0 3.675 7.138 5.535 0.00 0.00 C+0 HETATM 5 O UNK 0 3.460 7.802 6.766 0.00 0.00 O+0 HETATM 6 C UNK 0 2.686 6.051 5.405 0.00 0.00 C+0 HETATM 7 C UNK 0 2.817 5.072 4.301 0.00 0.00 C+0 HETATM 8 C UNK 0 2.798 5.759 2.954 0.00 0.00 C+0 HETATM 9 C UNK 0 1.651 4.088 4.228 0.00 0.00 C+0 HETATM 10 C UNK 0 1.403 3.220 5.377 0.00 0.00 C+0 HETATM 11 O UNK 0 1.143 4.061 6.516 0.00 0.00 O+0 HETATM 12 C UNK 0 0.175 2.406 5.272 0.00 0.00 C+0 HETATM 13 C UNK 0 -0.045 1.436 4.189 0.00 0.00 C+0 HETATM 14 C UNK 0 -0.101 1.887 2.789 0.00 0.00 C+0 HETATM 15 C UNK 0 -1.192 0.553 4.627 0.00 0.00 C+0 HETATM 16 C UNK 0 -1.617 -0.507 3.668 0.00 0.00 C+0 HETATM 17 O UNK 0 -0.558 -1.366 3.332 0.00 0.00 O+0 HETATM 18 C UNK 0 -2.584 -1.455 4.437 0.00 0.00 C+0 HETATM 19 C UNK 0 -3.794 -0.763 4.952 0.00 0.00 C+0 HETATM 20 C UNK 0 -4.527 -1.865 5.782 0.00 0.00 C+0 HETATM 21 C UNK 0 -4.842 -0.485 3.850 0.00 0.00 C+0 HETATM 22 C UNK 0 -5.989 0.228 4.549 0.00 0.00 C+0 HETATM 23 O UNK 0 -7.003 0.364 3.539 0.00 0.00 O+0 HETATM 24 C UNK 0 -5.620 1.711 4.777 0.00 0.00 C+0 HETATM 25 C UNK 0 -5.501 2.404 3.497 0.00 0.00 C+0 HETATM 26 O UNK 0 -5.959 1.825 2.440 0.00 0.00 O+0 HETATM 27 N UNK 0 -4.928 3.678 3.314 0.00 0.00 N+0 HETATM 28 C UNK 0 -4.935 4.297 1.986 0.00 0.00 C+0 HETATM 29 C UNK 0 -5.119 5.783 2.083 0.00 0.00 C+0 HETATM 30 C UNK 0 -6.384 6.233 2.723 0.00 0.00 C+0 HETATM 31 C UNK 0 -6.343 7.775 2.700 0.00 0.00 C+0 HETATM 32 C UNK 0 -6.490 5.885 4.199 0.00 0.00 C+0 HETATM 33 C UNK 0 -3.736 3.949 1.181 0.00 0.00 C+0 HETATM 34 O UNK 0 -2.781 3.432 1.798 0.00 0.00 O+0 HETATM 35 N UNK 0 -3.734 4.205 -0.206 0.00 0.00 N+0 HETATM 36 C UNK 0 -4.859 4.806 -0.866 0.00 0.00 C+0 HETATM 37 C UNK 0 -2.573 3.814 -1.062 0.00 0.00 C+0 HETATM 38 C UNK 0 -3.145 2.676 -1.895 0.00 0.00 C+0 HETATM 39 O UNK 0 -3.419 2.886 -3.075 0.00 0.00 O+0 HETATM 40 N UNK 0 -3.332 1.432 -1.244 0.00 0.00 N+0 HETATM 41 C UNK 0 -3.867 0.262 -1.844 0.00 0.00 C+0 HETATM 42 C UNK 0 -5.229 -0.058 -1.259 0.00 0.00 C+0 HETATM 43 O UNK 0 -6.025 1.054 -1.530 0.00 0.00 O+0 HETATM 44 C UNK 0 -2.936 -0.882 -1.757 0.00 0.00 C+0 HETATM 45 O UNK 0 -1.782 -0.638 -1.325 0.00 0.00 O+0 HETATM 46 N UNK 0 -3.277 -2.191 -2.120 0.00 0.00 N+0 HETATM 47 C UNK 0 -2.287 -3.286 -2.001 0.00 0.00 C+0 HETATM 48 C UNK 0 -2.506 -4.105 -3.256 0.00 0.00 C+0 HETATM 49 C UNK 0 -2.272 -3.326 -4.526 0.00 0.00 C+0 HETATM 50 C UNK 0 -2.537 -4.295 -5.668 0.00 0.00 C+0 HETATM 51 C UNK 0 -0.825 -2.930 -4.609 0.00 0.00 C+0 HETATM 52 C UNK 0 -2.643 -4.139 -0.846 0.00 0.00 C+0 HETATM 53 O UNK 0 -3.855 -3.923 -0.437 0.00 0.00 O+0 HETATM 54 N UNK 0 -1.927 -5.093 -0.149 0.00 0.00 N+0 HETATM 55 C UNK 0 -2.717 -5.792 0.920 0.00 0.00 C+0 HETATM 56 C UNK 0 -0.566 -5.524 -0.184 0.00 0.00 C+0 HETATM 57 C UNK 0 0.269 -4.440 0.443 0.00 0.00 C+0 HETATM 58 O UNK 0 -0.286 -3.289 0.521 0.00 0.00 O+0 HETATM 59 N UNK 0 1.558 -4.592 0.935 0.00 0.00 N+0 HETATM 60 C UNK 0 2.322 -3.475 1.544 0.00 0.00 C+0 HETATM 61 C UNK 0 2.325 -3.780 3.057 0.00 0.00 C+0 HETATM 62 O UNK 0 2.923 -2.844 3.805 0.00 0.00 O+0 HETATM 63 C UNK 0 3.698 -3.567 1.053 0.00 0.00 C+0 HETATM 64 O UNK 0 3.930 -4.689 0.404 0.00 0.00 O+0 HETATM 65 N UNK 0 4.786 -2.697 1.139 0.00 0.00 N+0 HETATM 66 C UNK 0 6.046 -3.160 0.468 0.00 0.00 C+0 HETATM 67 C UNK 0 4.949 -1.447 1.805 0.00 0.00 C+0 HETATM 68 C UNK 0 5.338 -0.397 0.805 0.00 0.00 C+0 HETATM 69 O UNK 0 5.951 0.629 1.365 0.00 0.00 O+0 HETATM 70 N UNK 0 5.196 -0.273 -0.542 0.00 0.00 N+0 HETATM 71 C UNK 0 5.802 0.967 -1.154 0.00 0.00 C+0 HETATM 72 C UNK 0 4.532 -1.123 -1.468 0.00 0.00 C+0 HETATM 73 C UNK 0 3.366 -0.266 -2.021 0.00 0.00 C+0 HETATM 74 C UNK 0 2.482 0.153 -0.881 0.00 0.00 C+0 HETATM 75 C UNK 0 1.352 0.986 -1.439 0.00 0.00 C+0 HETATM 76 N UNK 0 0.472 1.693 -0.590 0.00 0.00 N+0 HETATM 77 O UNK 0 1.175 1.065 -2.677 0.00 0.00 O+0 HETATM 78 C UNK 0 5.416 -1.474 -2.623 0.00 0.00 C+0 HETATM 79 O UNK 0 6.628 -1.158 -2.570 0.00 0.00 O+0 HETATM 80 N UNK 0 4.950 -2.141 -3.784 0.00 0.00 N+0 HETATM 81 C UNK 0 5.816 -2.437 -4.895 0.00 0.00 C+0 HETATM 82 C UNK 0 5.436 -1.581 -6.102 0.00 0.00 C+0 HETATM 83 O UNK 0 5.567 -0.221 -5.763 0.00 0.00 O+0 HETATM 84 C UNK 0 5.977 -3.860 -5.265 0.00 0.00 C+0 HETATM 85 C UNK 0 4.753 -4.576 -5.666 0.00 0.00 C+0 HETATM 86 C UNK 0 4.303 -4.566 -6.979 0.00 0.00 C+0 HETATM 87 C UNK 0 3.180 -5.248 -7.376 0.00 0.00 C+0 HETATM 88 C UNK 0 2.442 -5.985 -6.469 0.00 0.00 C+0 HETATM 89 O UNK 0 1.315 -6.663 -6.910 0.00 0.00 O+0 HETATM 90 C UNK 0 0.516 -7.432 -6.061 0.00 0.00 C+0 HETATM 91 C UNK 0 2.873 -6.007 -5.163 0.00 0.00 C+0 HETATM 92 C UNK 0 4.006 -5.315 -4.775 0.00 0.00 C+0 HETATM 93 C UNK 0 6.165 -1.532 2.760 0.00 0.00 C+0 HETATM 94 C UNK 0 6.016 -2.678 3.747 0.00 0.00 C+0 HETATM 95 C UNK 0 6.206 -0.227 3.542 0.00 0.00 C+0 HETATM 96 C UNK 0 -0.060 -6.015 -1.486 0.00 0.00 C+0 HETATM 97 C UNK 0 1.388 -6.480 -1.334 0.00 0.00 C+0 HETATM 98 C UNK 0 -0.854 -7.238 -1.885 0.00 0.00 C+0 HETATM 99 C UNK 0 -2.110 4.983 -1.847 0.00 0.00 C+0 HETATM 100 C UNK 0 -1.734 6.121 -0.825 0.00 0.00 C+0 HETATM 101 C UNK 0 -0.848 4.831 -2.624 0.00 0.00 C+0 HETATM 102 C UNK 0 -0.756 3.809 -3.681 0.00 0.00 C+0 HETATM 103 H UNK 0 3.309 9.629 2.414 0.00 0.00 H+0 HETATM 104 H UNK 0 1.747 10.350 2.812 0.00 0.00 H+0 HETATM 105 H UNK 0 3.194 11.017 3.618 0.00 0.00 H+0 HETATM 106 H UNK 0 2.414 9.577 5.350 0.00 0.00 H+0 HETATM 107 H UNK 0 1.644 8.510 4.181 0.00 0.00 H+0 HETATM 108 H UNK 0 4.212 7.850 3.510 0.00 0.00 H+0 HETATM 109 H UNK 0 4.605 8.886 4.864 0.00 0.00 H+0 HETATM 110 H UNK 0 4.729 6.712 5.692 0.00 0.00 H+0 HETATM 111 H UNK 0 3.612 7.215 7.528 0.00 0.00 H+0 HETATM 112 H UNK 0 2.637 5.515 6.409 0.00 0.00 H+0 HETATM 113 H UNK 0 1.668 6.537 5.345 0.00 0.00 H+0 HETATM 114 H UNK 0 3.777 4.502 4.444 0.00 0.00 H+0 HETATM 115 H UNK 0 2.305 5.068 2.179 0.00 0.00 H+0 HETATM 116 H UNK 0 3.853 5.772 2.593 0.00 0.00 H+0 HETATM 117 H UNK 0 2.237 6.668 2.883 0.00 0.00 H+0 HETATM 118 H UNK 0 0.756 4.678 3.953 0.00 0.00 H+0 HETATM 119 H UNK 0 1.844 3.416 3.323 0.00 0.00 H+0 HETATM 120 H UNK 0 2.296 2.644 5.726 0.00 0.00 H+0 HETATM 121 H UNK 0 0.860 3.415 7.220 0.00 0.00 H+0 HETATM 122 H UNK 0 0.034 1.831 6.252 0.00 0.00 H+0 HETATM 123 H UNK 0 -0.700 3.138 5.341 0.00 0.00 H+0 HETATM 124 H UNK 0 0.849 0.684 4.204 0.00 0.00 H+0 HETATM 125 H UNK 0 0.801 1.711 2.171 0.00 0.00 H+0 HETATM 126 H UNK 0 -0.334 2.963 2.736 0.00 0.00 H+0 HETATM 127 H UNK 0 -0.963 1.385 2.235 0.00 0.00 H+0 HETATM 128 H UNK 0 -2.045 1.262 4.824 0.00 0.00 H+0 HETATM 129 H UNK 0 -0.947 0.127 5.628 0.00 0.00 H+0 HETATM 130 H UNK 0 -2.164 -0.136 2.819 0.00 0.00 H+0 HETATM 131 H UNK 0 -0.340 -1.911 4.117 0.00 0.00 H+0 HETATM 132 H UNK 0 -2.032 -2.020 5.189 0.00 0.00 H+0 HETATM 133 H UNK 0 -2.941 -2.218 3.685 0.00 0.00 H+0 HETATM 134 H UNK 0 -3.569 0.111 5.516 0.00 0.00 H+0 HETATM 135 H UNK 0 -5.072 -2.486 5.080 0.00 0.00 H+0 HETATM 136 H UNK 0 -5.144 -1.377 6.525 0.00 0.00 H+0 HETATM 137 H UNK 0 -3.744 -2.449 6.317 0.00 0.00 H+0 HETATM 138 H UNK 0 -5.222 -1.415 3.435 0.00 0.00 H+0 HETATM 139 H UNK 0 -4.462 0.159 3.065 0.00 0.00 H+0 HETATM 140 H UNK 0 -6.398 -0.272 5.379 0.00 0.00 H+0 HETATM 141 H UNK 0 -7.849 0.516 4.026 0.00 0.00 H+0 HETATM 142 H UNK 0 -6.456 2.126 5.377 0.00 0.00 H+0 HETATM 143 H UNK 0 -4.699 1.809 5.354 0.00 0.00 H+0 HETATM 144 H UNK 0 -4.498 4.186 4.091 0.00 0.00 H+0 HETATM 145 H UNK 0 -5.851 3.870 1.470 0.00 0.00 H+0 HETATM 146 H UNK 0 -4.287 6.163 2.772 0.00 0.00 H+0 HETATM 147 H UNK 0 -4.958 6.317 1.138 0.00 0.00 H+0 HETATM 148 H UNK 0 -7.285 5.920 2.201 0.00 0.00 H+0 HETATM 149 H UNK 0 -6.191 8.063 1.648 0.00 0.00 H+0 HETATM 150 H UNK 0 -7.210 8.212 3.193 0.00 0.00 H+0 HETATM 151 H UNK 0 -5.373 8.024 3.223 0.00 0.00 H+0 HETATM 152 H UNK 0 -6.781 4.837 4.348 0.00 0.00 H+0 HETATM 153 H UNK 0 -7.329 6.480 4.670 0.00 0.00 H+0 HETATM 154 H UNK 0 -5.591 6.196 4.762 0.00 0.00 H+0 HETATM 155 H UNK 0 -5.816 4.720 -0.337 0.00 0.00 H+0 HETATM 156 H UNK 0 -4.712 5.858 -1.182 0.00 0.00 H+0 HETATM 157 H UNK 0 -4.961 4.263 -1.870 0.00 0.00 H+0 HETATM 158 H UNK 0 -1.768 3.370 -0.486 0.00 0.00 H+0 HETATM 159 H UNK 0 -3.052 1.376 -0.227 0.00 0.00 H+0 HETATM 160 H UNK 0 -4.032 0.480 -2.929 0.00 0.00 H+0 HETATM 161 H UNK 0 -5.087 -0.098 -0.154 0.00 0.00 H+0 HETATM 162 H UNK 0 -5.710 -0.932 -1.685 0.00 0.00 H+0 HETATM 163 H UNK 0 -6.905 0.774 -1.882 0.00 0.00 H+0 HETATM 164 H UNK 0 -4.197 -2.462 -2.476 0.00 0.00 H+0 HETATM 165 H UNK 0 -1.271 -2.926 -1.956 0.00 0.00 H+0 HETATM 166 H UNK 0 -3.631 -4.313 -3.254 0.00 0.00 H+0 HETATM 167 H UNK 0 -2.044 -5.063 -3.315 0.00 0.00 H+0 HETATM 168 H UNK 0 -2.970 -2.489 -4.658 0.00 0.00 H+0 HETATM 169 H UNK 0 -2.708 -3.706 -6.612 0.00 0.00 H+0 HETATM 170 H UNK 0 -3.443 -4.911 -5.483 0.00 0.00 H+0 HETATM 171 H UNK 0 -1.650 -4.919 -5.827 0.00 0.00 H+0 HETATM 172 H UNK 0 -0.702 -2.312 -5.520 0.00 0.00 H+0 HETATM 173 H UNK 0 -0.231 -3.858 -4.719 0.00 0.00 H+0 HETATM 174 H UNK 0 -0.492 -2.309 -3.764 0.00 0.00 H+0 HETATM 175 H UNK 0 -3.308 -6.563 0.392 0.00 0.00 H+0 HETATM 176 H UNK 0 -2.077 -6.267 1.652 0.00 0.00 H+0 HETATM 177 H UNK 0 -3.404 -5.074 1.401 0.00 0.00 H+0 HETATM 178 H UNK 0 -0.401 -6.385 0.548 0.00 0.00 H+0 HETATM 179 H UNK 0 2.062 -5.481 0.928 0.00 0.00 H+0 HETATM 180 H UNK 0 1.842 -2.519 1.439 0.00 0.00 H+0 HETATM 181 H UNK 0 2.813 -4.771 3.207 0.00 0.00 H+0 HETATM 182 H UNK 0 1.283 -3.924 3.413 0.00 0.00 H+0 HETATM 183 H UNK 0 2.238 -2.259 4.253 0.00 0.00 H+0 HETATM 184 H UNK 0 6.653 -3.750 1.177 0.00 0.00 H+0 HETATM 185 H UNK 0 6.640 -2.318 0.120 0.00 0.00 H+0 HETATM 186 H UNK 0 5.804 -3.781 -0.398 0.00 0.00 H+0 HETATM 187 H UNK 0 4.109 -1.072 2.388 0.00 0.00 H+0 HETATM 188 H UNK 0 5.752 0.932 -2.237 0.00 0.00 H+0 HETATM 189 H UNK 0 5.271 1.851 -0.752 0.00 0.00 H+0 HETATM 190 H UNK 0 6.854 0.925 -0.811 0.00 0.00 H+0 HETATM 191 H UNK 0 4.081 -2.000 -1.084 0.00 0.00 H+0 HETATM 192 H UNK 0 2.798 -0.935 -2.682 0.00 0.00 H+0 HETATM 193 H UNK 0 3.792 0.622 -2.512 0.00 0.00 H+0 HETATM 194 H UNK 0 2.122 -0.699 -0.312 0.00 0.00 H+0 HETATM 195 H UNK 0 3.054 0.841 -0.236 0.00 0.00 H+0 HETATM 196 H UNK 0 0.554 2.727 -0.541 0.00 0.00 H+0 HETATM 197 H UNK 0 -0.224 1.204 -0.038 0.00 0.00 H+0 HETATM 198 H UNK 0 3.958 -2.422 -3.830 0.00 0.00 H+0 HETATM 199 H UNK 0 6.850 -2.064 -4.611 0.00 0.00 H+0 HETATM 200 H UNK 0 4.428 -1.799 -6.472 0.00 0.00 H+0 HETATM 201 H UNK 0 6.167 -1.793 -6.886 0.00 0.00 H+0 HETATM 202 H UNK 0 6.248 0.229 -6.333 0.00 0.00 H+0 HETATM 203 H UNK 0 6.738 -3.889 -6.105 0.00 0.00 H+0 HETATM 204 H UNK 0 6.486 -4.408 -4.438 0.00 0.00 H+0 HETATM 205 H UNK 0 4.864 -3.997 -7.712 0.00 0.00 H+0 HETATM 206 H UNK 0 2.837 -5.226 -8.402 0.00 0.00 H+0 HETATM 207 H UNK 0 1.088 -7.991 -5.299 0.00 0.00 H+0 HETATM 208 H UNK 0 0.022 -8.233 -6.680 0.00 0.00 H+0 HETATM 209 H UNK 0 -0.321 -6.886 -5.593 0.00 0.00 H+0 HETATM 210 H UNK 0 2.296 -6.585 -4.459 0.00 0.00 H+0 HETATM 211 H UNK 0 4.348 -5.331 -3.752 0.00 0.00 H+0 HETATM 212 H UNK 0 7.058 -1.594 2.143 0.00 0.00 H+0 HETATM 213 H UNK 0 5.557 -3.565 3.300 0.00 0.00 H+0 HETATM 214 H UNK 0 5.485 -2.275 4.627 0.00 0.00 H+0 HETATM 215 H UNK 0 7.041 -2.951 4.069 0.00 0.00 H+0 HETATM 216 H UNK 0 7.061 0.394 3.252 0.00 0.00 H+0 HETATM 217 H UNK 0 5.269 0.320 3.439 0.00 0.00 H+0 HETATM 218 H UNK 0 6.409 -0.458 4.638 0.00 0.00 H+0 HETATM 219 H UNK 0 -0.030 -5.230 -2.276 0.00 0.00 H+0 HETATM 220 H UNK 0 1.660 -7.120 -2.245 0.00 0.00 H+0 HETATM 221 H UNK 0 1.522 -7.183 -0.503 0.00 0.00 H+0 HETATM 222 H UNK 0 2.112 -5.653 -1.399 0.00 0.00 H+0 HETATM 223 H UNK 0 -0.295 -8.177 -1.631 0.00 0.00 H+0 HETATM 224 H UNK 0 -1.803 -7.307 -1.312 0.00 0.00 H+0 HETATM 225 H UNK 0 -1.031 -7.289 -2.984 0.00 0.00 H+0 HETATM 226 H UNK 0 -2.882 5.409 -2.501 0.00 0.00 H+0 HETATM 227 H UNK 0 -1.200 6.901 -1.414 0.00 0.00 H+0 HETATM 228 H UNK 0 -1.006 5.713 -0.101 0.00 0.00 H+0 HETATM 229 H UNK 0 -2.618 6.574 -0.399 0.00 0.00 H+0 HETATM 230 H UNK 0 -0.589 5.854 -3.045 0.00 0.00 H+0 HETATM 231 H UNK 0 0.039 4.650 -1.930 0.00 0.00 H+0 HETATM 232 H UNK 0 0.298 3.872 -4.115 0.00 0.00 H+0 HETATM 233 H UNK 0 -0.825 2.755 -3.365 0.00 0.00 H+0 HETATM 234 H UNK 0 -1.487 3.978 -4.497 0.00 0.00 H+0 CONECT 1 2 103 104 105 CONECT 2 1 3 106 107 CONECT 3 2 4 108 109 CONECT 4 3 5 6 110 CONECT 5 4 111 CONECT 6 4 7 112 113 CONECT 7 6 8 9 114 CONECT 8 7 115 116 117 CONECT 9 7 10 118 119 CONECT 10 9 11 12 120 CONECT 11 10 121 CONECT 12 10 13 122 123 CONECT 13 12 14 15 124 CONECT 14 13 125 126 127 CONECT 15 13 16 128 129 CONECT 16 15 17 18 130 CONECT 17 16 131 CONECT 18 16 19 132 133 CONECT 19 18 20 21 134 CONECT 20 19 135 136 137 CONECT 21 19 22 138 139 CONECT 22 21 23 24 140 CONECT 23 22 141 CONECT 24 22 25 142 143 CONECT 25 24 26 27 CONECT 26 25 CONECT 27 25 28 144 CONECT 28 27 29 33 145 CONECT 29 28 30 146 147 CONECT 30 29 31 32 148 CONECT 31 30 149 150 151 CONECT 32 30 152 153 154 CONECT 33 28 34 35 CONECT 34 33 CONECT 35 33 36 37 CONECT 36 35 155 156 157 CONECT 37 35 38 99 158 CONECT 38 37 39 40 CONECT 39 38 CONECT 40 38 41 159 CONECT 41 40 42 44 160 CONECT 42 41 43 161 162 CONECT 43 42 163 CONECT 44 41 45 46 CONECT 45 44 CONECT 46 44 47 164 CONECT 47 46 48 52 165 CONECT 48 47 49 166 167 CONECT 49 48 50 51 168 CONECT 50 49 169 170 171 CONECT 51 49 172 173 174 CONECT 52 47 53 54 CONECT 53 52 CONECT 54 52 55 56 CONECT 55 54 175 176 177 CONECT 56 54 57 96 178 CONECT 57 56 58 59 CONECT 58 57 CONECT 59 57 60 179 CONECT 60 59 61 63 180 CONECT 61 60 62 181 182 CONECT 62 61 183 CONECT 63 60 64 65 CONECT 64 63 CONECT 65 63 66 67 CONECT 66 65 184 185 186 CONECT 67 65 68 93 187 CONECT 68 67 69 70 CONECT 69 68 CONECT 70 68 71 72 CONECT 71 70 188 189 190 CONECT 72 70 73 78 191 CONECT 73 72 74 192 193 CONECT 74 73 75 194 195 CONECT 75 74 76 77 CONECT 76 75 196 197 CONECT 77 75 CONECT 78 72 79 80 CONECT 79 78 CONECT 80 78 81 198 CONECT 81 80 82 84 199 CONECT 82 81 83 200 201 CONECT 83 82 202 CONECT 84 81 85 203 204 CONECT 85 84 86 92 CONECT 86 85 87 205 CONECT 87 86 88 206 CONECT 88 87 89 91 CONECT 89 88 90 CONECT 90 89 207 208 209 CONECT 91 88 92 210 CONECT 92 91 85 211 CONECT 93 67 94 95 212 CONECT 94 93 213 214 215 CONECT 95 93 216 217 218 CONECT 96 56 97 98 219 CONECT 97 96 220 221 222 CONECT 98 96 223 224 225 CONECT 99 37 100 101 226 CONECT 100 99 227 228 229 CONECT 101 99 102 230 231 CONECT 102 101 232 233 234 CONECT 103 1 CONECT 104 1 CONECT 105 1 CONECT 106 2 CONECT 107 2 CONECT 108 3 CONECT 109 3 CONECT 110 4 CONECT 111 5 CONECT 112 6 CONECT 113 6 CONECT 114 7 CONECT 115 8 CONECT 116 8 CONECT 117 8 CONECT 118 9 CONECT 119 9 CONECT 120 10 CONECT 121 11 CONECT 122 12 CONECT 123 12 CONECT 124 13 CONECT 125 14 CONECT 126 14 CONECT 127 14 CONECT 128 15 CONECT 129 15 CONECT 130 16 CONECT 131 17 CONECT 132 18 CONECT 133 18 CONECT 134 19 CONECT 135 20 CONECT 136 20 CONECT 137 20 CONECT 138 21 CONECT 139 21 CONECT 140 22 CONECT 141 23 CONECT 142 24 CONECT 143 24 CONECT 144 27 CONECT 145 28 CONECT 146 29 CONECT 147 29 CONECT 148 30 CONECT 149 31 CONECT 150 31 CONECT 151 31 CONECT 152 32 CONECT 153 32 CONECT 154 32 CONECT 155 36 CONECT 156 36 CONECT 157 36 CONECT 158 37 CONECT 159 40 CONECT 160 41 CONECT 161 42 CONECT 162 42 CONECT 163 43 CONECT 164 46 CONECT 165 47 CONECT 166 48 CONECT 167 48 CONECT 168 49 CONECT 169 50 CONECT 170 50 CONECT 171 50 CONECT 172 51 CONECT 173 51 CONECT 174 51 CONECT 175 55 CONECT 176 55 CONECT 177 55 CONECT 178 56 CONECT 179 59 CONECT 180 60 CONECT 181 61 CONECT 182 61 CONECT 183 62 CONECT 184 66 CONECT 185 66 CONECT 186 66 CONECT 187 67 CONECT 188 71 CONECT 189 71 CONECT 190 71 CONECT 191 72 CONECT 192 73 CONECT 193 73 CONECT 194 74 CONECT 195 74 CONECT 196 76 CONECT 197 76 CONECT 198 80 CONECT 199 81 CONECT 200 82 CONECT 201 82 CONECT 202 83 CONECT 203 84 CONECT 204 84 CONECT 205 86 CONECT 206 87 CONECT 207 90 CONECT 208 90 CONECT 209 90 CONECT 210 91 CONECT 211 92 CONECT 212 93 CONECT 213 94 CONECT 214 94 CONECT 215 94 CONECT 216 95 CONECT 217 95 CONECT 218 95 CONECT 219 96 CONECT 220 97 CONECT 221 97 CONECT 222 97 CONECT 223 98 CONECT 224 98 CONECT 225 98 CONECT 226 99 CONECT 227 100 CONECT 228 100 CONECT 229 100 CONECT 230 101 CONECT 231 101 CONECT 232 102 CONECT 233 102 CONECT 234 102 MASTER 0 0 0 0 0 0 0 0 234 0 468 0 END SMILES for NP0019208 (Minnamide A)[H]OC([H])([H])[C@@]([H])(N([H])C(=O)[C@]([H])(N(C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])[C@]([H])(O[H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])[C@]([H])(O[H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C(=O)N([H])[C@@]([H])(C(=O)N(C([H])([H])[H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N(C([H])([H])[H])[C@]([H])(C(=O)N(C([H])([H])[H])[C@]([H])(C(=O)N([H])[C@]([H])(C([H])([H])O[H])C([H])([H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])O[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H] INCHI for NP0019208 (Minnamide A)InChI=1S/C74H132N10O18/c1-20-22-52(88)31-46(11)32-53(89)33-47(12)34-54(90)35-48(13)36-55(91)38-63(93)77-57(29-42(3)4)71(98)84(18)66(49(14)21-2)70(97)79-59(40-86)67(94)78-58(30-43(5)6)72(99)82(16)64(44(7)8)69(96)80-60(41-87)73(100)83(17)65(45(9)10)74(101)81(15)61(27-28-62(75)92)68(95)76-51(39-85)37-50-23-25-56(102-19)26-24-50/h23-26,42-49,51-55,57-61,64-66,85-91H,20-22,27-41H2,1-19H3,(H2,75,92)(H,76,95)(H,77,93)(H,78,94)(H,79,97)(H,80,96)/t46-,47-,48-,49-,51-,52+,53+,54+,55-,57-,58+,59+,60-,61-,64-,65-,66+/m0/s1 3D Structure for NP0019208 (Minnamide A) | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
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| Chemical Formula | C74H132N10O18 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1449.9220 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1448.97211 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-[(2R,3S)-2-[(2S)-N,4-dimethyl-2-[(3S,5S,7R,9S,11R,13S,15R)-3,7,11,15-tetrahydroxy-5,9,13-trimethyloctadecanamido]pentanamido]-3-methylpentanamido]-3-hydroxypropanamido]-N,4-dimethylpentanamido]-3-methylbutanamido]-3-hydroxy-N-methylpropanamido]-N,3-dimethylbutanamido]-N-[(2S)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]pentanediamide | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-[(2R,3S)-2-[(2S)-N,4-dimethyl-2-[(3S,5S,7R,9S,11R,13S,15R)-3,7,11,15-tetrahydroxy-5,9,13-trimethyloctadecanamido]pentanamido]-3-methylpentanamido]-3-hydroxypropanamido]-N,4-dimethylpentanamido]-3-methylbutanamido]-3-hydroxy-N-methylpropanamido]-N,3-dimethylbutanamido]-N-[(2S)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]pentanediamide | |||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CCC[C@@H](O)C[C@H](C)C[C@@H](O)C[C@H](C)C[C@@H](O)C[C@H](C)C[C@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H]([C@@H](C)CC)C(=O)N[C@H](CO)C(=O)N[C@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@H](CO)CC1=CC=C(OC)C=C1 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C74H132N10O18/c1-20-22-52(88)31-46(11)32-53(89)33-47(12)34-54(90)35-48(13)36-55(91)38-63(93)77-57(29-42(3)4)71(98)84(18)66(49(14)21-2)70(97)79-59(40-86)67(94)78-58(30-43(5)6)72(99)82(16)64(44(7)8)69(96)80-60(41-87)73(100)83(17)65(45(9)10)74(101)81(15)61(27-28-62(75)92)68(95)76-51(39-85)37-50-23-25-56(102-19)26-24-50/h23-26,42-49,51-55,57-61,64-66,85-91H,20-22,27-41H2,1-19H3,(H2,75,92)(H,76,95)(H,77,93)(H,78,94)(H,79,97)(H,80,96)/t46-,47-,48-,49-,51-,52+,53+,54+,55-,57-,58+,59+,60-,61-,64-,65-,66+/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | QGFKIJHYWFMMLE-KPZCQLIWSA-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 | NPA026721 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 71115936 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 137628498 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
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