Showing NP-Card for Clavariopsin F (NP0019972)
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| Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-06 05:28:53 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:32:24 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0019972 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Clavariopsin F | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Clavariopsin F is found in Clavariopsis aquatica. It was first documented in 2019 (PMID: 31244144). Based on a literature review very few articles have been published on Clavariopsin F. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0019972 (Clavariopsin F)
Mrv1652307042107503D
177179 0 0 0 0 999 V2000
-3.9094 7.4942 -3.4213 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4202 6.1686 -2.7988 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.3107 5.1896 -2.6687 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.6521 4.8238 -3.9686 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5075 4.0376 -1.7310 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.7215 4.5900 -0.3732 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8497 5.0754 -0.1291 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7566 4.6112 0.6609 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3518 4.9147 0.5187 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.4703 4.0543 1.3567 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8899 3.7677 2.5059 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7847 3.5771 0.8894 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1446 2.2269 1.2544 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6896 4.3641 0.0939 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5257 5.3344 0.9100 C 0 0 2 0 0 0 0 0 0 0 0 0
1.5812 6.2619 1.6546 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2226 6.2630 -0.1041 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4520 3.6252 -0.9312 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2847 4.1162 -2.1346 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2882 2.5419 -0.8926 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6303 2.2727 -0.4103 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5388 3.4356 -0.2915 C 0 0 2 0 0 0 0 0 0 0 0 0
6.8877 3.0440 0.1922 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3137 3.1756 1.4970 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5884 2.7585 1.8690 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4662 2.2063 0.9674 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6981 1.8137 1.3699 O 0 0 0 0 0 0 0 0 0 0 0 0
11.7342 1.2367 0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0444 2.0746 -0.3337 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7700 2.4890 -0.7148 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5774 1.3709 0.7750 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7048 1.9787 1.8776 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4135 0.0728 0.7115 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9219 -1.1611 0.4760 C 0 0 2 0 0 0 0 0 0 0 0 0
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4.0560 -2.1877 1.0850 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.7857 -3.5131 0.8383 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1046 -4.4974 1.9120 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4059 -5.1234 1.4316 C 0 0 1 0 0 0 0 0 0 0 0 0
5.0804 -5.7912 0.0983 C 0 0 1 0 0 0 0 0 0 0 0 0
3.6168 -5.6928 -0.2468 C 0 0 2 0 0 0 0 0 0 0 0 0
3.2271 -4.2056 -0.2985 C 0 0 1 0 0 0 0 0 0 0 0 0
1.8728 -3.9298 -0.7061 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8243 -2.8004 -1.3998 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5899 -4.4972 -0.5930 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0103 -4.9607 -1.9121 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3146 -4.6933 0.4761 C 0 0 1 0 0 0 0 0 0 0 0 0
0.0357 -5.2093 1.8009 C 0 0 1 0 0 0 0 0 0 0 0 0
0.6056 -6.6021 1.8598 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7293 -4.2585 2.7321 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2171 -3.5080 0.6908 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5416 -2.4126 0.6105 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5657 -3.4595 0.9441 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.7140 -3.9098 0.2017 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.7917 -5.4201 0.0437 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.8279 -6.1235 1.3672 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1915 -5.6856 -0.5678 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9968 -3.4949 0.8112 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1798 -3.9892 1.9876 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0004 -2.6800 0.3239 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.3496 -2.7917 0.9085 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7947 -1.6977 -0.7267 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.1728 -2.3425 -2.0315 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.5643 -2.8257 -2.1167 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5029 -2.1123 -2.5393 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.9089 -4.1181 -1.7261 O 0 0 0 0 0 0 0 0 0 0 0 0
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-7.6743 -0.3559 -0.9702 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0227 0.7393 0.1712 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.9297 1.2404 1.2403 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8258 1.5322 -0.0311 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.5932 0.9079 0.5521 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.6986 0.6528 2.0201 C 0 0 2 0 0 0 0 0 0 0 0 0
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-4.6167 1.8143 -1.4918 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6078 0.7308 -2.1948 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4444 3.0458 -2.1392 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.3253 3.2371 -3.3238 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4458 7.3261 -4.3988 H 0 0 0 0 0 0 0 0 0 0 0 0
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-4.8264 8.0926 -3.6046 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2819 5.8676 -3.4087 H 0 0 0 0 0 0 0 0 0 0 0 0
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-2.4987 5.7940 -2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0
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-2.4560 3.7356 -4.0575 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4554 3.5721 -1.7027 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0763 4.3866 1.6445 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0246 4.9711 -0.5188 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2044 5.9565 0.9411 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2139 1.6155 0.3259 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3628 1.7025 1.8578 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0470 2.2672 1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9789 5.0911 -0.4356 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1920 4.8911 1.6288 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9982 5.7567 2.4293 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0181 6.8663 0.9459 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2471 6.9887 2.2099 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9958 6.8801 0.3737 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5948 5.5970 -0.9036 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4099 6.8705 -0.5596 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8856 1.6253 -1.3446 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1692 1.6258 -1.2129 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1240 4.2517 0.3655 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7329 3.9518 -1.2693 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6795 3.6234 2.2426 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9305 2.8598 2.9029 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9291 1.8263 -0.2583 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6962 1.2445 1.2224 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5337 0.1843 0.3205 H 0 0 0 0 0 0 0 0 0 0 0 0
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7.4894 2.3635 -1.7478 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9168 -1.2874 1.1307 H 0 0 0 0 0 0 0 0 0 0 0 0
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4.4830 -2.1603 -2.5996 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6205 -0.8345 -1.7675 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7615 0.0182 -1.9252 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5886 -1.4523 -1.3932 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1865 -0.2829 -0.1404 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2962 -5.2279 1.9832 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2483 -4.0611 2.8869 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1338 -4.3021 1.3232 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7253 -5.8246 2.1991 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6708 -5.3962 -0.7314 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3079 -6.8850 0.2510 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9699 -6.3133 0.3372 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5320 -6.0644 -1.3097 H 0 0 0 0 0 0 0 0 0 0 0 0
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-1.0434 -5.5021 0.0821 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9907 -5.3191 2.3044 H 0 0 0 0 0 0 0 0 0 0 0 0
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1.3630 -4.8814 3.4188 H 0 0 0 0 0 0 0 0 0 0 0 0
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-6.7971 0.7267 2.1842 H 0 0 0 0 0 0 0 0 0 0 0 0
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-4.9355 2.4947 0.5236 H 0 0 0 0 0 0 0 0 0 0 0 0
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-2.8075 1.7294 0.4706 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5514 -0.0693 2.1929 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0079 2.2913 3.2785 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5073 1.5147 3.7593 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5584 2.6536 2.4217 H 0 0 0 0 0 0 0 0 0 0 0 0
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-2.6868 -0.9189 3.0718 H 0 0 0 0 0 0 0 0 0 0 0 0
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9 10 1 0 0 0 0
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15 16 1 0 0 0 0
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18 19 2 0 0 0 0
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M END
3D MOL for NP0019972 (Clavariopsin F)
RDKit 3D
177179 0 0 0 0 0 0 0 0999 V2000
-3.9094 7.4942 -3.4213 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4202 6.1686 -2.7988 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3107 5.1896 -2.6687 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.6521 4.8238 -3.9686 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5075 4.0376 -1.7310 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.7215 4.5900 -0.3732 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8497 5.0754 -0.1291 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7566 4.6112 0.6609 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3518 4.9147 0.5187 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4703 4.0543 1.3567 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8899 3.7677 2.5059 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7847 3.5771 0.8894 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1446 2.2269 1.2544 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6896 4.3641 0.0939 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5257 5.3344 0.9100 C 0 0 2 0 0 0 0 0 0 0 0 0
1.5812 6.2619 1.6546 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2226 6.2630 -0.1041 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4520 3.6252 -0.9312 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2847 4.1162 -2.1346 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2882 2.5419 -0.8926 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6303 2.2727 -0.4103 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5388 3.4356 -0.2915 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8877 3.0440 0.1922 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3137 3.1756 1.4970 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5884 2.7585 1.8690 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4662 2.2063 0.9674 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6981 1.8137 1.3699 O 0 0 0 0 0 0 0 0 0 0 0 0
11.7342 1.2367 0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0444 2.0746 -0.3337 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7700 2.4890 -0.7148 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5774 1.3709 0.7750 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7048 1.9787 1.8776 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4135 0.0728 0.7115 O 0 0 0 0 0 0 0 0 0 0 0 0
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14 18 1 0
18 19 2 0
18 20 1 0
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82175 1 0
82176 1 0
82177 1 0
M END
3D SDF for NP0019972 (Clavariopsin F)
Mrv1652307042107503D
177179 0 0 0 0 999 V2000
-3.9094 7.4942 -3.4213 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4202 6.1686 -2.7988 C 0 0 2 0 0 0 0 0 0 0 0 0
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-1.3518 4.9147 0.5187 C 0 0 1 0 0 0 0 0 0 0 0 0
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-0.8899 3.7677 2.5059 O 0 0 0 0 0 0 0 0 0 0 0 0
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1.1446 2.2269 1.2544 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6896 4.3641 0.0939 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5257 5.3344 0.9100 C 0 0 2 0 0 0 0 0 0 0 0 0
1.5812 6.2619 1.6546 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2226 6.2630 -0.1041 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.8877 3.0440 0.1922 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3137 3.1756 1.4970 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.8243 -2.8004 -1.3998 O 0 0 0 0 0 0 0 0 0 0 0 0
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1.2139 1.6155 0.3259 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3628 1.7025 1.8578 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0470 2.2672 1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9789 5.0911 -0.4356 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1920 4.8911 1.6288 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9982 5.7567 2.4293 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0181 6.8663 0.9459 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2471 6.9887 2.2099 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9958 6.8801 0.3737 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5948 5.5970 -0.9036 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4099 6.8705 -0.5596 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8856 1.6253 -1.3446 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1692 1.6258 -1.2129 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1240 4.2517 0.3655 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7329 3.9518 -1.2693 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6795 3.6234 2.2426 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9305 2.8598 2.9029 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9291 1.8263 -0.2583 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6962 1.2445 1.2224 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5337 0.1843 0.3205 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7094 1.6439 -1.0715 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4894 2.3635 -1.7478 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9168 -1.2874 1.1307 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8307 -2.5488 -0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0919 -0.5096 -2.7761 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4830 -2.1603 -2.5996 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6205 -0.8345 -1.7675 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7615 0.0182 -1.9252 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5886 -1.4523 -1.3932 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1865 -0.2829 -0.1404 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2962 -5.2279 1.9832 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2483 -4.0611 2.8869 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1338 -4.3021 1.3232 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7253 -5.8246 2.1991 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6708 -5.3962 -0.7314 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3079 -6.8850 0.2510 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9699 -6.3133 0.3372 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5320 -6.0644 -1.3097 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9468 -3.8869 -1.1487 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3182 -5.9968 -2.1257 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2245 -4.2269 -2.7061 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0950 -5.0017 -1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0434 -5.5021 0.0821 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9907 -5.3191 2.3044 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1486 -7.2623 2.3841 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7883 -7.0061 0.8391 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4879 -6.6298 2.5254 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3630 -4.8814 3.4188 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0472 -3.6830 3.3981 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3824 -3.5397 2.2519 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8380 -2.9831 1.8828 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7226 -3.5192 -0.8417 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1171 -5.8366 -0.7090 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8337 -6.3919 1.7177 H 0 0 0 0 0 0 0 0 0 0 0 0
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-3.3741 -5.4516 2.1157 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1751 -5.5093 -1.6550 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4597 -6.7558 -0.4047 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9428 -5.0662 -0.1013 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6786 -3.8292 0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3256 -2.3876 1.9419 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0642 -2.2556 0.2617 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6644 -1.5436 -0.8474 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5340 -3.2251 -2.2392 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9848 -1.5994 -2.8825 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7300 -4.3150 -1.2037 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7682 2.3233 1.4139 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7971 0.7267 2.1842 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9727 1.1421 0.8868 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9355 2.4947 0.5236 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1570 0.0868 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8075 1.7294 0.4706 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5514 -0.0693 2.1929 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0079 2.2913 3.2785 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5073 1.5147 3.7593 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5584 2.6536 2.4217 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7441 -0.1979 1.6417 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9500 0.6777 3.2404 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6868 -0.9189 3.0718 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8258 3.6966 -4.1614 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6644 2.2332 -3.7248 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2696 3.7337 -3.0300 H 0 0 0 0 0 0 0 0 0 0 0 0
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46 47 2 0 0 0 0
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48 50 1 0 0 0 0
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51 52 1 0 0 0 0
51 53 1 0 0 0 0
50 54 1 0 0 0 0
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56 57 1 0 0 0 0
57 58 1 0 0 0 0
58 59 1 0 0 0 0
58 60 1 0 0 0 0
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61 62 2 0 0 0 0
61 63 1 0 0 0 0
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63 65 1 0 0 0 0
65 66 1 0 0 0 0
66 67 1 0 0 0 0
67 68 2 0 0 0 0
67 69 1 0 0 0 0
65 70 1 0 0 0 0
70 71 2 0 0 0 0
70 72 1 0 0 0 0
72 73 1 0 0 0 0
72 74 1 0 0 0 0
74 75 1 0 0 0 0
75 76 1 0 0 0 0
76 77 1 0 0 0 0
76 78 1 0 0 0 0
74 79 1 0 0 0 0
79 80 2 0 0 0 0
79 81 1 0 0 0 0
81 82 1 0 0 0 0
81 5 1 0 0 0 0
30 23 1 0 0 0 0
45 40 1 0 0 0 0
1 83 1 0 0 0 0
1 84 1 0 0 0 0
1 85 1 0 0 0 0
2 86 1 0 0 0 0
2 87 1 0 0 0 0
3 88 1 1 0 0 0
4 89 1 0 0 0 0
4 90 1 0 0 0 0
4 91 1 0 0 0 0
5 92 1 1 0 0 0
8 93 1 0 0 0 0
9 94 1 0 0 0 0
9 95 1 0 0 0 0
13 96 1 0 0 0 0
13 97 1 0 0 0 0
13 98 1 0 0 0 0
14 99 1 6 0 0 0
15100 1 1 0 0 0
16101 1 0 0 0 0
16102 1 0 0 0 0
16103 1 0 0 0 0
17104 1 0 0 0 0
17105 1 0 0 0 0
17106 1 0 0 0 0
20107 1 0 0 0 0
21108 1 6 0 0 0
22109 1 0 0 0 0
22110 1 0 0 0 0
24111 1 0 0 0 0
25112 1 0 0 0 0
28113 1 0 0 0 0
28114 1 0 0 0 0
28115 1 0 0 0 0
29116 1 0 0 0 0
30117 1 0 0 0 0
34118 1 1 0 0 0
35119 1 1 0 0 0
36120 1 0 0 0 0
36121 1 0 0 0 0
36122 1 0 0 0 0
37123 1 0 0 0 0
37124 1 0 0 0 0
37125 1 0 0 0 0
41126 1 0 0 0 0
41127 1 0 0 0 0
42128 1 0 0 0 0
42129 1 0 0 0 0
43130 1 0 0 0 0
43131 1 0 0 0 0
44132 1 0 0 0 0
44133 1 0 0 0 0
45134 1 6 0 0 0
49135 1 0 0 0 0
49136 1 0 0 0 0
49137 1 0 0 0 0
50138 1 6 0 0 0
51139 1 1 0 0 0
52140 1 0 0 0 0
52141 1 0 0 0 0
52142 1 0 0 0 0
53143 1 0 0 0 0
53144 1 0 0 0 0
53145 1 0 0 0 0
56146 1 0 0 0 0
57147 1 6 0 0 0
58148 1 6 0 0 0
59149 1 0 0 0 0
59150 1 0 0 0 0
59151 1 0 0 0 0
60152 1 0 0 0 0
60153 1 0 0 0 0
60154 1 0 0 0 0
64155 1 0 0 0 0
64156 1 0 0 0 0
64157 1 0 0 0 0
65158 1 6 0 0 0
66159 1 0 0 0 0
66160 1 0 0 0 0
69161 1 0 0 0 0
73162 1 0 0 0 0
73163 1 0 0 0 0
73164 1 0 0 0 0
74165 1 1 0 0 0
75166 1 0 0 0 0
75167 1 0 0 0 0
76168 1 6 0 0 0
77169 1 0 0 0 0
77170 1 0 0 0 0
77171 1 0 0 0 0
78172 1 0 0 0 0
78173 1 0 0 0 0
78174 1 0 0 0 0
82175 1 0 0 0 0
82176 1 0 0 0 0
82177 1 0 0 0 0
M END
> <DATABASE_ID>
NP0019972
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC(=O)C([H])([H])[C@]1([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N(C(=O)[C@@]2([H])N(C(=O)[C@]([H])(OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N(C(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N(C(=O)[C@@]([H])(N(C1=O)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([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C59H95N9O14/c1-19-37(12)49-51(72)60-31-44(69)65(15)47(34(6)7)52(73)61-40(29-38-23-25-39(81-18)26-24-38)59(80)82-50(36(10)11)58(79)68-27-21-20-22-41(68)54(75)66(16)48(35(8)9)53(74)62-46(33(4)5)57(78)64(14)43(30-45(70)71)55(76)63(13)42(28-32(2)3)56(77)67(49)17/h23-26,32-37,40-43,46-50H,19-22,27-31H2,1-18H3,(H,60,72)(H,61,73)(H,62,74)(H,70,71)/t37-,40-,41-,42-,43-,46-,47-,48-,49-,50+/m0/s1
> <INCHI_KEY>
FVVVVLTXKSMHHN-ZEYDOXAQSA-N
> <FORMULA>
C59H95N9O14
> <MOLECULAR_WEIGHT>
1154.458
> <EXACT_MASS>
1153.699848775
> <JCHEM_ACCEPTOR_COUNT>
13
> <JCHEM_ATOM_COUNT>
177
> <JCHEM_AVERAGE_POLARIZABILITY>
124.72162204050507
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
4
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
2-[(3S,6S,9S,12S,15S,21S,24S,27R,33aS)-15-[(2S)-butan-2-yl]-24-[(4-methoxyphenyl)methyl]-2,8,11,14,20-pentamethyl-12-(2-methylpropyl)-1,4,7,10,13,16,19,22,25,28-decaoxo-3,6,21,27-tetrakis(propan-2-yl)-dotriacontahydropyrido[1,2-d]1-oxa-4,7,10,13,16,19,22,25,28-nonaazacyclotriacontan-9-yl]acetic acid
> <ALOGPS_LOGP>
3.74
> <JCHEM_LOGP>
3.623819079333334
> <ALOGPS_LOGS>
-5.01
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
3
> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1
> <JCHEM_PKA>
11.725488326536565
> <JCHEM_PKA_STRONGEST_ACIDIC>
4.308780276778728
> <JCHEM_PKA_STRONGEST_BASIC>
-2.4392459636226964
> <JCHEM_POLAR_SURFACE_AREA>
281.99
> <JCHEM_REFRACTIVITY>
303.6741000000002
> <JCHEM_ROTATABLE_BOND_COUNT>
13
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
1.13e-02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
[(3S,6S,9S,12S,15S,21S,24S,27R,33aS)-15-[(2S)-butan-2-yl]-3,6,21,27-tetraisopropyl-24-[(4-methoxyphenyl)methyl]-2,8,11,14,20-pentamethyl-12-(2-methylpropyl)-1,4,7,10,13,16,19,22,25,28-decaoxo-hexadecahydro-3H-pyrido[1,2-d]1-oxa-4,7,10,13,16,19,22,25,28-nonaazacyclotriacontan-9-yl]acetic acid
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0019972 (Clavariopsin F)
RDKit 3D
177179 0 0 0 0 0 0 0 0999 V2000
-3.9094 7.4942 -3.4213 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4202 6.1686 -2.7988 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3107 5.1896 -2.6687 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.6521 4.8238 -3.9686 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5075 4.0376 -1.7310 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.7215 4.5900 -0.3732 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8497 5.0754 -0.1291 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7566 4.6112 0.6609 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3518 4.9147 0.5187 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4703 4.0543 1.3567 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8899 3.7677 2.5059 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7847 3.5771 0.8894 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1446 2.2269 1.2544 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6896 4.3641 0.0939 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5257 5.3344 0.9100 C 0 0 2 0 0 0 0 0 0 0 0 0
1.5812 6.2619 1.6546 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2226 6.2630 -0.1041 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4520 3.6252 -0.9312 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2847 4.1162 -2.1346 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2882 2.5419 -0.8926 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6303 2.2727 -0.4103 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5388 3.4356 -0.2915 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8877 3.0440 0.1922 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3137 3.1756 1.4970 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5884 2.7585 1.8690 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4662 2.2063 0.9674 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6981 1.8137 1.3699 O 0 0 0 0 0 0 0 0 0 0 0 0
11.7342 1.2367 0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0444 2.0746 -0.3337 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7700 2.4890 -0.7148 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5774 1.3709 0.7750 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7048 1.9787 1.8776 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4135 0.0728 0.7115 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9219 -1.1611 0.4760 C 0 0 2 0 0 0 0 0 0 0 0 0
5.5074 -1.4485 -0.8698 C 0 0 1 0 0 0 0 0 0 0 0 0
4.6060 -1.2357 -2.0353 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8110 -0.7205 -1.0981 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0560 -2.1877 1.0850 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3931 -1.6907 2.1131 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7857 -3.5131 0.8383 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1046 -4.4974 1.9120 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4059 -5.1234 1.4316 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0804 -5.7912 0.0983 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6168 -5.6928 -0.2468 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2271 -4.2056 -0.2985 C 0 0 1 0 0 0 0 0 0 0 0 0
1.8728 -3.9298 -0.7061 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8243 -2.8004 -1.3998 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5899 -4.4972 -0.5930 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0103 -4.9607 -1.9121 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3146 -4.6933 0.4761 C 0 0 1 0 0 0 0 0 0 0 0 0
0.0357 -5.2093 1.8009 C 0 0 1 0 0 0 0 0 0 0 0 0
0.6056 -6.6021 1.8598 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7293 -4.2585 2.7321 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2171 -3.5080 0.6908 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5416 -2.4126 0.6105 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5657 -3.4595 0.9441 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.7140 -3.9098 0.2017 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.7917 -5.4201 0.0437 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.8279 -6.1235 1.3672 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1915 -5.6856 -0.5678 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9968 -3.4949 0.8112 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1798 -3.9892 1.9876 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0004 -2.6800 0.3239 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.3496 -2.7917 0.9085 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7947 -1.6977 -0.7267 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.1728 -2.3425 -2.0315 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5643 -2.8257 -2.1167 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5029 -2.1123 -2.5393 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.9089 -4.1181 -1.7261 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4676 -0.4089 -0.4851 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6743 -0.3559 -0.9702 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0227 0.7393 0.1712 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.9297 1.2404 1.2403 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8258 1.5322 -0.0311 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.5932 0.9079 0.5521 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6986 0.6528 2.0201 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.9342 1.8603 2.8334 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4061 -0.0149 2.5131 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6167 1.8143 -1.4918 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6078 0.7308 -2.1948 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4444 3.0458 -2.1392 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.3253 3.2371 -3.3238 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4458 7.3261 -4.3988 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2988 8.0470 -2.6963 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8264 8.0926 -3.6046 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2819 5.8676 -3.4087 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8627 6.5157 -1.8419 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4987 5.7940 -2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1790 5.2463 -4.8714 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6167 5.2727 -4.0868 H 0 0 0 0 0 0 0 0 0 0 0 0
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-2.4554 3.5721 -1.7027 H 0 0 0 0 0 0 0 0 0 0 0 0
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M END
PDB for NP0019972 (Clavariopsin F)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 -3.909 7.494 -3.421 0.00 0.00 C+0 HETATM 2 C UNK 0 -4.420 6.169 -2.799 0.00 0.00 C+0 HETATM 3 C UNK 0 -3.311 5.190 -2.669 0.00 0.00 C+0 HETATM 4 C UNK 0 -2.652 4.824 -3.969 0.00 0.00 C+0 HETATM 5 C UNK 0 -3.507 4.038 -1.731 0.00 0.00 C+0 HETATM 6 C UNK 0 -3.721 4.590 -0.373 0.00 0.00 C+0 HETATM 7 O UNK 0 -4.850 5.075 -0.129 0.00 0.00 O+0 HETATM 8 N UNK 0 -2.757 4.611 0.661 0.00 0.00 N+0 HETATM 9 C UNK 0 -1.352 4.915 0.519 0.00 0.00 C+0 HETATM 10 C UNK 0 -0.470 4.054 1.357 0.00 0.00 C+0 HETATM 11 O UNK 0 -0.890 3.768 2.506 0.00 0.00 O+0 HETATM 12 N UNK 0 0.785 3.577 0.889 0.00 0.00 N+0 HETATM 13 C UNK 0 1.145 2.227 1.254 0.00 0.00 C+0 HETATM 14 C UNK 0 1.690 4.364 0.094 0.00 0.00 C+0 HETATM 15 C UNK 0 2.526 5.334 0.910 0.00 0.00 C+0 HETATM 16 C UNK 0 1.581 6.262 1.655 0.00 0.00 C+0 HETATM 17 C UNK 0 3.223 6.263 -0.104 0.00 0.00 C+0 HETATM 18 C UNK 0 2.452 3.625 -0.931 0.00 0.00 C+0 HETATM 19 O UNK 0 2.285 4.116 -2.135 0.00 0.00 O+0 HETATM 20 N UNK 0 3.288 2.542 -0.893 0.00 0.00 N+0 HETATM 21 C UNK 0 4.630 2.273 -0.410 0.00 0.00 C+0 HETATM 22 C UNK 0 5.539 3.436 -0.292 0.00 0.00 C+0 HETATM 23 C UNK 0 6.888 3.044 0.192 0.00 0.00 C+0 HETATM 24 C UNK 0 7.314 3.176 1.497 0.00 0.00 C+0 HETATM 25 C UNK 0 8.588 2.759 1.869 0.00 0.00 C+0 HETATM 26 C UNK 0 9.466 2.206 0.967 0.00 0.00 C+0 HETATM 27 O UNK 0 10.698 1.814 1.370 0.00 0.00 O+0 HETATM 28 C UNK 0 11.734 1.237 0.657 0.00 0.00 C+0 HETATM 29 C UNK 0 9.044 2.075 -0.334 0.00 0.00 C+0 HETATM 30 C UNK 0 7.770 2.489 -0.715 0.00 0.00 C+0 HETATM 31 C UNK 0 4.577 1.371 0.775 0.00 0.00 C+0 HETATM 32 O UNK 0 4.705 1.979 1.878 0.00 0.00 O+0 HETATM 33 O UNK 0 4.414 0.073 0.712 0.00 0.00 O+0 HETATM 34 C UNK 0 4.922 -1.161 0.476 0.00 0.00 C+0 HETATM 35 C UNK 0 5.507 -1.448 -0.870 0.00 0.00 C+0 HETATM 36 C UNK 0 4.606 -1.236 -2.035 0.00 0.00 C+0 HETATM 37 C UNK 0 6.811 -0.721 -1.098 0.00 0.00 C+0 HETATM 38 C UNK 0 4.056 -2.188 1.085 0.00 0.00 C+0 HETATM 39 O UNK 0 3.393 -1.691 2.113 0.00 0.00 O+0 HETATM 40 N UNK 0 3.786 -3.513 0.838 0.00 0.00 N+0 HETATM 41 C UNK 0 4.105 -4.497 1.912 0.00 0.00 C+0 HETATM 42 C UNK 0 5.406 -5.123 1.432 0.00 0.00 C+0 HETATM 43 C UNK 0 5.080 -5.791 0.098 0.00 0.00 C+0 HETATM 44 C UNK 0 3.617 -5.693 -0.247 0.00 0.00 C+0 HETATM 45 C UNK 0 3.227 -4.206 -0.299 0.00 0.00 C+0 HETATM 46 C UNK 0 1.873 -3.930 -0.706 0.00 0.00 C+0 HETATM 47 O UNK 0 1.824 -2.800 -1.400 0.00 0.00 O+0 HETATM 48 N UNK 0 0.590 -4.497 -0.593 0.00 0.00 N+0 HETATM 49 C UNK 0 0.010 -4.961 -1.912 0.00 0.00 C+0 HETATM 50 C UNK 0 -0.315 -4.693 0.476 0.00 0.00 C+0 HETATM 51 C UNK 0 0.036 -5.209 1.801 0.00 0.00 C+0 HETATM 52 C UNK 0 0.606 -6.602 1.860 0.00 0.00 C+0 HETATM 53 C UNK 0 0.729 -4.258 2.732 0.00 0.00 C+0 HETATM 54 C UNK 0 -1.217 -3.508 0.691 0.00 0.00 C+0 HETATM 55 O UNK 0 -0.542 -2.413 0.611 0.00 0.00 O+0 HETATM 56 N UNK 0 -2.566 -3.459 0.944 0.00 0.00 N+0 HETATM 57 C UNK 0 -3.714 -3.910 0.202 0.00 0.00 C+0 HETATM 58 C UNK 0 -3.792 -5.420 0.044 0.00 0.00 C+0 HETATM 59 C UNK 0 -3.828 -6.123 1.367 0.00 0.00 C+0 HETATM 60 C UNK 0 -5.191 -5.686 -0.568 0.00 0.00 C+0 HETATM 61 C UNK 0 -4.997 -3.495 0.811 0.00 0.00 C+0 HETATM 62 O UNK 0 -5.180 -3.989 1.988 0.00 0.00 O+0 HETATM 63 N UNK 0 -6.000 -2.680 0.324 0.00 0.00 N+0 HETATM 64 C UNK 0 -7.350 -2.792 0.909 0.00 0.00 C+0 HETATM 65 C UNK 0 -5.795 -1.698 -0.727 0.00 0.00 C+0 HETATM 66 C UNK 0 -6.173 -2.342 -2.031 0.00 0.00 C+0 HETATM 67 C UNK 0 -7.564 -2.826 -2.117 0.00 0.00 C+0 HETATM 68 O UNK 0 -8.503 -2.112 -2.539 0.00 0.00 O+0 HETATM 69 O UNK 0 -7.909 -4.118 -1.726 0.00 0.00 O+0 HETATM 70 C UNK 0 -6.468 -0.409 -0.485 0.00 0.00 C+0 HETATM 71 O UNK 0 -7.674 -0.356 -0.970 0.00 0.00 O+0 HETATM 72 N UNK 0 -6.023 0.739 0.171 0.00 0.00 N+0 HETATM 73 C UNK 0 -6.930 1.240 1.240 0.00 0.00 C+0 HETATM 74 C UNK 0 -4.826 1.532 -0.031 0.00 0.00 C+0 HETATM 75 C UNK 0 -3.593 0.908 0.552 0.00 0.00 C+0 HETATM 76 C UNK 0 -3.699 0.653 2.020 0.00 0.00 C+0 HETATM 77 C UNK 0 -3.934 1.860 2.833 0.00 0.00 C+0 HETATM 78 C UNK 0 -2.406 -0.015 2.513 0.00 0.00 C+0 HETATM 79 C UNK 0 -4.617 1.814 -1.492 0.00 0.00 C+0 HETATM 80 O UNK 0 -4.608 0.731 -2.195 0.00 0.00 O+0 HETATM 81 N UNK 0 -4.444 3.046 -2.139 0.00 0.00 N+0 HETATM 82 C UNK 0 -5.325 3.237 -3.324 0.00 0.00 C+0 HETATM 83 H UNK 0 -3.446 7.326 -4.399 0.00 0.00 H+0 HETATM 84 H UNK 0 -3.299 8.047 -2.696 0.00 0.00 H+0 HETATM 85 H UNK 0 -4.826 8.093 -3.605 0.00 0.00 H+0 HETATM 86 H UNK 0 -5.282 5.868 -3.409 0.00 0.00 H+0 HETATM 87 H UNK 0 -4.863 6.516 -1.842 0.00 0.00 H+0 HETATM 88 H UNK 0 -2.499 5.794 -2.130 0.00 0.00 H+0 HETATM 89 H UNK 0 -3.179 5.246 -4.871 0.00 0.00 H+0 HETATM 90 H UNK 0 -1.617 5.273 -4.087 0.00 0.00 H+0 HETATM 91 H UNK 0 -2.456 3.736 -4.058 0.00 0.00 H+0 HETATM 92 H UNK 0 -2.455 3.572 -1.703 0.00 0.00 H+0 HETATM 93 H UNK 0 -3.076 4.387 1.645 0.00 0.00 H+0 HETATM 94 H UNK 0 -1.025 4.971 -0.519 0.00 0.00 H+0 HETATM 95 H UNK 0 -1.204 5.957 0.941 0.00 0.00 H+0 HETATM 96 H UNK 0 1.214 1.615 0.326 0.00 0.00 H+0 HETATM 97 H UNK 0 0.363 1.702 1.858 0.00 0.00 H+0 HETATM 98 H UNK 0 2.047 2.267 1.860 0.00 0.00 H+0 HETATM 99 H UNK 0 0.979 5.091 -0.436 0.00 0.00 H+0 HETATM 100 H UNK 0 3.192 4.891 1.629 0.00 0.00 H+0 HETATM 101 H UNK 0 0.998 5.757 2.429 0.00 0.00 H+0 HETATM 102 H UNK 0 1.018 6.866 0.946 0.00 0.00 H+0 HETATM 103 H UNK 0 2.247 6.989 2.210 0.00 0.00 H+0 HETATM 104 H UNK 0 3.996 6.880 0.374 0.00 0.00 H+0 HETATM 105 H UNK 0 3.595 5.597 -0.904 0.00 0.00 H+0 HETATM 106 H UNK 0 2.410 6.870 -0.560 0.00 0.00 H+0 HETATM 107 H UNK 0 2.886 1.625 -1.345 0.00 0.00 H+0 HETATM 108 H UNK 0 5.169 1.626 -1.213 0.00 0.00 H+0 HETATM 109 H UNK 0 5.124 4.252 0.366 0.00 0.00 H+0 HETATM 110 H UNK 0 5.733 3.952 -1.269 0.00 0.00 H+0 HETATM 111 H UNK 0 6.680 3.623 2.243 0.00 0.00 H+0 HETATM 112 H UNK 0 8.931 2.860 2.903 0.00 0.00 H+0 HETATM 113 H UNK 0 11.929 1.826 -0.258 0.00 0.00 H+0 HETATM 114 H UNK 0 12.696 1.244 1.222 0.00 0.00 H+0 HETATM 115 H UNK 0 11.534 0.184 0.321 0.00 0.00 H+0 HETATM 116 H UNK 0 9.709 1.644 -1.071 0.00 0.00 H+0 HETATM 117 H UNK 0 7.489 2.364 -1.748 0.00 0.00 H+0 HETATM 118 H UNK 0 5.917 -1.287 1.131 0.00 0.00 H+0 HETATM 119 H UNK 0 5.831 -2.549 -0.802 0.00 0.00 H+0 HETATM 120 H UNK 0 5.092 -0.510 -2.776 0.00 0.00 H+0 HETATM 121 H UNK 0 4.483 -2.160 -2.600 0.00 0.00 H+0 HETATM 122 H UNK 0 3.620 -0.835 -1.768 0.00 0.00 H+0 HETATM 123 H UNK 0 6.761 0.018 -1.925 0.00 0.00 H+0 HETATM 124 H UNK 0 7.589 -1.452 -1.393 0.00 0.00 H+0 HETATM 125 H UNK 0 7.186 -0.283 -0.140 0.00 0.00 H+0 HETATM 126 H UNK 0 3.296 -5.228 1.983 0.00 0.00 H+0 HETATM 127 H UNK 0 4.248 -4.061 2.887 0.00 0.00 H+0 HETATM 128 H UNK 0 6.134 -4.302 1.323 0.00 0.00 H+0 HETATM 129 H UNK 0 5.725 -5.825 2.199 0.00 0.00 H+0 HETATM 130 H UNK 0 5.671 -5.396 -0.731 0.00 0.00 H+0 HETATM 131 H UNK 0 5.308 -6.885 0.251 0.00 0.00 H+0 HETATM 132 H UNK 0 2.970 -6.313 0.337 0.00 0.00 H+0 HETATM 133 H UNK 0 3.532 -6.064 -1.310 0.00 0.00 H+0 HETATM 134 H UNK 0 3.947 -3.887 -1.149 0.00 0.00 H+0 HETATM 135 H UNK 0 0.318 -5.997 -2.126 0.00 0.00 H+0 HETATM 136 H UNK 0 0.225 -4.227 -2.706 0.00 0.00 H+0 HETATM 137 H UNK 0 -1.095 -5.002 -1.868 0.00 0.00 H+0 HETATM 138 H UNK 0 -1.043 -5.502 0.082 0.00 0.00 H+0 HETATM 139 H UNK 0 -0.991 -5.319 2.304 0.00 0.00 H+0 HETATM 140 H UNK 0 -0.149 -7.262 2.384 0.00 0.00 H+0 HETATM 141 H UNK 0 0.788 -7.006 0.839 0.00 0.00 H+0 HETATM 142 H UNK 0 1.488 -6.630 2.525 0.00 0.00 H+0 HETATM 143 H UNK 0 1.363 -4.881 3.419 0.00 0.00 H+0 HETATM 144 H UNK 0 0.047 -3.683 3.398 0.00 0.00 H+0 HETATM 145 H UNK 0 1.382 -3.540 2.252 0.00 0.00 H+0 HETATM 146 H UNK 0 -2.838 -2.983 1.883 0.00 0.00 H+0 HETATM 147 H UNK 0 -3.723 -3.519 -0.842 0.00 0.00 H+0 HETATM 148 H UNK 0 -3.117 -5.837 -0.709 0.00 0.00 H+0 HETATM 149 H UNK 0 -4.834 -6.392 1.718 0.00 0.00 H+0 HETATM 150 H UNK 0 -3.211 -7.050 1.250 0.00 0.00 H+0 HETATM 151 H UNK 0 -3.374 -5.452 2.116 0.00 0.00 H+0 HETATM 152 H UNK 0 -5.175 -5.509 -1.655 0.00 0.00 H+0 HETATM 153 H UNK 0 -5.460 -6.756 -0.405 0.00 0.00 H+0 HETATM 154 H UNK 0 -5.943 -5.066 -0.101 0.00 0.00 H+0 HETATM 155 H UNK 0 -7.679 -3.829 0.993 0.00 0.00 H+0 HETATM 156 H UNK 0 -7.326 -2.388 1.942 0.00 0.00 H+0 HETATM 157 H UNK 0 -8.064 -2.256 0.262 0.00 0.00 H+0 HETATM 158 H UNK 0 -4.664 -1.544 -0.847 0.00 0.00 H+0 HETATM 159 H UNK 0 -5.534 -3.225 -2.239 0.00 0.00 H+0 HETATM 160 H UNK 0 -5.985 -1.599 -2.882 0.00 0.00 H+0 HETATM 161 H UNK 0 -8.730 -4.315 -1.204 0.00 0.00 H+0 HETATM 162 H UNK 0 -6.768 2.323 1.414 0.00 0.00 H+0 HETATM 163 H UNK 0 -6.797 0.727 2.184 0.00 0.00 H+0 HETATM 164 H UNK 0 -7.973 1.142 0.887 0.00 0.00 H+0 HETATM 165 H UNK 0 -4.936 2.495 0.524 0.00 0.00 H+0 HETATM 166 H UNK 0 -3.157 0.087 -0.015 0.00 0.00 H+0 HETATM 167 H UNK 0 -2.808 1.729 0.471 0.00 0.00 H+0 HETATM 168 H UNK 0 -4.551 -0.069 2.193 0.00 0.00 H+0 HETATM 169 H UNK 0 -3.008 2.291 3.279 0.00 0.00 H+0 HETATM 170 H UNK 0 -4.507 1.515 3.759 0.00 0.00 H+0 HETATM 171 H UNK 0 -4.558 2.654 2.422 0.00 0.00 H+0 HETATM 172 H UNK 0 -1.744 -0.198 1.642 0.00 0.00 H+0 HETATM 173 H UNK 0 -1.950 0.678 3.240 0.00 0.00 H+0 HETATM 174 H UNK 0 -2.687 -0.919 3.072 0.00 0.00 H+0 HETATM 175 H UNK 0 -4.826 3.697 -4.161 0.00 0.00 H+0 HETATM 176 H UNK 0 -5.664 2.233 -3.725 0.00 0.00 H+0 HETATM 177 H UNK 0 -6.270 3.734 -3.030 0.00 0.00 H+0 CONECT 1 2 83 84 85 CONECT 2 1 3 86 87 CONECT 3 2 4 5 88 CONECT 4 3 89 90 91 CONECT 5 3 6 81 92 CONECT 6 5 7 8 CONECT 7 6 CONECT 8 6 9 93 CONECT 9 8 10 94 95 CONECT 10 9 11 12 CONECT 11 10 CONECT 12 10 13 14 CONECT 13 12 96 97 98 CONECT 14 12 15 18 99 CONECT 15 14 16 17 100 CONECT 16 15 101 102 103 CONECT 17 15 104 105 106 CONECT 18 14 19 20 CONECT 19 18 CONECT 20 18 21 107 CONECT 21 20 22 31 108 CONECT 22 21 23 109 110 CONECT 23 22 24 30 CONECT 24 23 25 111 CONECT 25 24 26 112 CONECT 26 25 27 29 CONECT 27 26 28 CONECT 28 27 113 114 115 CONECT 29 26 30 116 CONECT 30 29 23 117 CONECT 31 21 32 33 CONECT 32 31 CONECT 33 31 34 CONECT 34 33 35 38 118 CONECT 35 34 36 37 119 CONECT 36 35 120 121 122 CONECT 37 35 123 124 125 CONECT 38 34 39 40 CONECT 39 38 CONECT 40 38 41 45 CONECT 41 40 42 126 127 CONECT 42 41 43 128 129 CONECT 43 42 44 130 131 CONECT 44 43 45 132 133 CONECT 45 44 46 40 134 CONECT 46 45 47 48 CONECT 47 46 CONECT 48 46 49 50 CONECT 49 48 135 136 137 CONECT 50 48 51 54 138 CONECT 51 50 52 53 139 CONECT 52 51 140 141 142 CONECT 53 51 143 144 145 CONECT 54 50 55 56 CONECT 55 54 CONECT 56 54 57 146 CONECT 57 56 58 61 147 CONECT 58 57 59 60 148 CONECT 59 58 149 150 151 CONECT 60 58 152 153 154 CONECT 61 57 62 63 CONECT 62 61 CONECT 63 61 64 65 CONECT 64 63 155 156 157 CONECT 65 63 66 70 158 CONECT 66 65 67 159 160 CONECT 67 66 68 69 CONECT 68 67 CONECT 69 67 161 CONECT 70 65 71 72 CONECT 71 70 CONECT 72 70 73 74 CONECT 73 72 162 163 164 CONECT 74 72 75 79 165 CONECT 75 74 76 166 167 CONECT 76 75 77 78 168 CONECT 77 76 169 170 171 CONECT 78 76 172 173 174 CONECT 79 74 80 81 CONECT 80 79 CONECT 81 79 82 5 CONECT 82 81 175 176 177 CONECT 83 1 CONECT 84 1 CONECT 85 1 CONECT 86 2 CONECT 87 2 CONECT 88 3 CONECT 89 4 CONECT 90 4 CONECT 91 4 CONECT 92 5 CONECT 93 8 CONECT 94 9 CONECT 95 9 CONECT 96 13 CONECT 97 13 CONECT 98 13 CONECT 99 14 CONECT 100 15 CONECT 101 16 CONECT 102 16 CONECT 103 16 CONECT 104 17 CONECT 105 17 CONECT 106 17 CONECT 107 20 CONECT 108 21 CONECT 109 22 CONECT 110 22 CONECT 111 24 CONECT 112 25 CONECT 113 28 CONECT 114 28 CONECT 115 28 CONECT 116 29 CONECT 117 30 CONECT 118 34 CONECT 119 35 CONECT 120 36 CONECT 121 36 CONECT 122 36 CONECT 123 37 CONECT 124 37 CONECT 125 37 CONECT 126 41 CONECT 127 41 CONECT 128 42 CONECT 129 42 CONECT 130 43 CONECT 131 43 CONECT 132 44 CONECT 133 44 CONECT 134 45 CONECT 135 49 CONECT 136 49 CONECT 137 49 CONECT 138 50 CONECT 139 51 CONECT 140 52 CONECT 141 52 CONECT 142 52 CONECT 143 53 CONECT 144 53 CONECT 145 53 CONECT 146 56 CONECT 147 57 CONECT 148 58 CONECT 149 59 CONECT 150 59 CONECT 151 59 CONECT 152 60 CONECT 153 60 CONECT 154 60 CONECT 155 64 CONECT 156 64 CONECT 157 64 CONECT 158 65 CONECT 159 66 CONECT 160 66 CONECT 161 69 CONECT 162 73 CONECT 163 73 CONECT 164 73 CONECT 165 74 CONECT 166 75 CONECT 167 75 CONECT 168 76 CONECT 169 77 CONECT 170 77 CONECT 171 77 CONECT 172 78 CONECT 173 78 CONECT 174 78 CONECT 175 82 CONECT 176 82 CONECT 177 82 MASTER 0 0 0 0 0 0 0 0 177 0 358 0 END SMILES for NP0019972 (Clavariopsin F)[H]OC(=O)C([H])([H])[C@]1([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N(C(=O)[C@@]2([H])N(C(=O)[C@]([H])(OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N(C(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N(C(=O)[C@@]([H])(N(C1=O)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([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] INCHI for NP0019972 (Clavariopsin F)InChI=1S/C59H95N9O14/c1-19-37(12)49-51(72)60-31-44(69)65(15)47(34(6)7)52(73)61-40(29-38-23-25-39(81-18)26-24-38)59(80)82-50(36(10)11)58(79)68-27-21-20-22-41(68)54(75)66(16)48(35(8)9)53(74)62-46(33(4)5)57(78)64(14)43(30-45(70)71)55(76)63(13)42(28-32(2)3)56(77)67(49)17/h23-26,32-37,40-43,46-50H,19-22,27-31H2,1-18H3,(H,60,72)(H,61,73)(H,62,74)(H,70,71)/t37-,40-,41-,42-,43-,46-,47-,48-,49-,50+/m0/s1 3D Structure for NP0019972 (Clavariopsin F) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
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| Chemical Formula | C59H95N9O14 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1154.4580 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1153.69985 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | 2-[(3S,6S,9S,12S,15S,21S,24S,27R,33aS)-15-[(2S)-butan-2-yl]-24-[(4-methoxyphenyl)methyl]-2,8,11,14,20-pentamethyl-12-(2-methylpropyl)-1,4,7,10,13,16,19,22,25,28-decaoxo-3,6,21,27-tetrakis(propan-2-yl)-dotriacontahydropyrido[1,2-d]1-oxa-4,7,10,13,16,19,22,25,28-nonaazacyclotriacontan-9-yl]acetic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | [(3S,6S,9S,12S,15S,21S,24S,27R,33aS)-15-[(2S)-butan-2-yl]-3,6,21,27-tetraisopropyl-24-[(4-methoxyphenyl)methyl]-2,8,11,14,20-pentamethyl-12-(2-methylpropyl)-1,4,7,10,13,16,19,22,25,28-decaoxo-hexadecahydro-3H-pyrido[1,2-d]1-oxa-4,7,10,13,16,19,22,25,28-nonaazacyclotriacontan-9-yl]acetic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CC[C@H](C)[C@@H]1N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(O)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H](OC(=O)[C@H](CC2=CC=C(OC)C=C2)NC(=O)[C@H](C(C)C)N(C)C(=O)CNC1=O)C(C)C)C(C)C | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C59H95N9O14/c1-19-37(12)49-51(72)60-31-44(69)65(15)47(34(6)7)52(73)61-40(29-38-23-25-39(81-18)26-24-38)59(80)82-50(36(10)11)58(79)68-27-21-20-22-41(68)54(75)66(16)48(35(8)9)53(74)62-46(33(4)5)57(78)64(14)43(30-45(70)71)55(76)63(13)42(28-32(2)3)56(77)67(49)17/h23-26,32-37,40-43,46-50H,19-22,27-31H2,1-18H3,(H,60,72)(H,61,73)(H,62,74)(H,70,71)/t37-,40-,41-,42-,43-,46-,47-,48-,49-,50+/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | FVVVVLTXKSMHHN-ZEYDOXAQSA-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 | NPA025211 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 145720980 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
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