Showing NP-Card for Glenthmycin L (NP0331395)
Record Information | ||||||||||||||||
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Version | 1.0 | |||||||||||||||
Created at | 2022-12-23 12:06:55 UTC | |||||||||||||||
Updated at | 2024-04-19 09:39:49 UTC | |||||||||||||||
NP-MRD ID | NP0331395 | |||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||
Natural Product Identification | ||||||||||||||||
Common Name | Glenthmycin L | |||||||||||||||
Description | Not Available | |||||||||||||||
Structure | MOL for NP0331395 (Glenthmycin L)Mrv1652312232213062D 45 49 0 0 1 0 999 V2000 4.2311 -2.8340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5756 -1.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7831 -1.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0379 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6410 -0.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8758 0.4350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -0.6533 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0925 0.1506 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3236 1.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9162 1.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3586 2.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 2.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5453 2.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2744 1.8320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9762 1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6463 1.9028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0825 0.5264 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2991 0.7849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8837 0.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6043 0.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1140 -0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5430 -1.0581 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7733 -1.8503 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6057 -2.1300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9357 -2.9040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7547 -3.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4403 -3.5637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2023 -2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4011 -2.2491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0560 -1.4364 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3059 -1.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9721 -1.6536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7418 -0.8614 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3128 -0.2658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5116 -0.0691 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9062 -0.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5379 -1.3097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2954 -1.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2722 0.2381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1182 -0.7185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1363 -0.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0826 -1.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4509 0.0738 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3755 0.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7469 0.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 3 1 6 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 1 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 23 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 6 0 0 0 22 32 1 1 0 0 0 22 33 1 0 0 0 0 30 33 1 0 0 0 0 33 34 1 6 0 0 0 33 35 1 0 0 0 0 17 35 1 0 0 0 0 35 36 1 0 0 0 0 4 36 1 0 0 0 0 36 37 2 0 0 0 0 35 38 1 1 0 0 0 8 39 1 6 0 0 0 8 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 43 44 1 1 0 0 0 43 45 1 0 0 0 0 7 45 1 0 0 0 0 M END 3D SDF for NP0331395 (Glenthmycin L)Mrv1652312232213062D 45 49 0 0 1 0 999 V2000 4.2311 -2.8340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5756 -1.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7831 -1.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0379 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6410 -0.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8758 0.4350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -0.6533 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0925 0.1506 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3236 1.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9162 1.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3586 2.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 2.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5453 2.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2744 1.8320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9762 1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6463 1.9028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0825 0.5264 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2991 0.7849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8837 0.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6043 0.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1140 -0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5430 -1.0581 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7733 -1.8503 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6057 -2.1300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9357 -2.9040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7547 -3.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4403 -3.5637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2023 -2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4011 -2.2491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0560 -1.4364 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3059 -1.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9721 -1.6536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7418 -0.8614 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3128 -0.2658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5116 -0.0691 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9062 -0.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5379 -1.3097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2954 -1.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2722 0.2381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1182 -0.7185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1363 -0.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0826 -1.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4509 0.0738 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3755 0.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7469 0.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 3 1 6 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 1 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 23 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 6 0 0 0 22 32 1 1 0 0 0 22 33 1 0 0 0 0 30 33 1 0 0 0 0 33 34 1 6 0 0 0 33 35 1 0 0 0 0 17 35 1 0 0 0 0 35 36 1 0 0 0 0 4 36 1 0 0 0 0 36 37 2 0 0 0 0 35 38 1 1 0 0 0 8 39 1 6 0 0 0 8 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 43 44 1 1 0 0 0 43 45 1 0 0 0 0 7 45 1 0 0 0 0 M END > <DATABASE_ID> NP0331395 > <DATABASE_NAME> NP-MRD > <SMILES> [H][C@@]12C=C(C)[C@H](C)C[C@]11OC(=O)C(=C1O)C(=O)[C@]1(C)[C@@]([H])(C(C)=C[C@]3([H])[C@H](CC[C@H](C)[C@@]13[H])OC(C)=O)C(C)=CCC\C(C)=C/2 > <INCHI_IDENTIFIER> InChI=1S/C35H46O6/c1-18-10-9-11-19(2)29-22(5)16-26-27(40-24(7)36)13-12-20(3)30(26)34(29,8)31(37)28-32(38)35(41-33(28)39)17-23(6)21(4)15-25(35)14-18/h11,14-16,20,23,25-27,29-30,38H,9-10,12-13,17H2,1-8H3/b18-14-,19-11-/t20-,23+,25+,26+,27-,29+,30+,34+,35-/m0/s1 > <INCHI_KEY> SJVDXIGEBQYNPB-GVDGQNNRSA-N > <FORMULA> C35H46O6 > <MOLECULAR_WEIGHT> 562.747 > <EXACT_MASS> 562.329439201 $$$$ PDB for NP0331395 (Glenthmycin L)HEADER PROTEIN 23-DEC-22 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 23-DEC-22 0 HETATM 1 O UNK 0 7.898 -5.290 0.000 0.00 0.00 O+0 HETATM 2 C UNK 0 8.541 -3.536 0.000 0.00 0.00 C+0 HETATM 3 O UNK 0 7.062 -2.847 0.000 0.00 0.00 O+0 HETATM 4 C UNK 0 9.404 -2.085 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 8.663 -0.942 0.000 0.00 0.00 C+0 HETATM 6 O UNK 0 9.101 0.812 0.000 0.00 0.00 O+0 HETATM 7 C UNK 0 6.907 -1.219 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 5.773 0.281 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 6.204 2.029 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 7.310 3.330 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 6.269 4.564 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 8.744 4.143 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 10.351 4.251 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 11.712 3.420 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 13.022 2.537 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 14.273 3.552 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 13.221 0.983 0.000 0.00 0.00 C+0 HETATM 18 H UNK 0 11.758 1.465 0.000 0.00 0.00 H+0 HETATM 19 C UNK 0 14.716 0.615 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 16.061 1.491 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 15.146 -0.863 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 14.080 -1.975 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 14.510 -3.454 0.000 0.00 0.00 C+0 HETATM 24 O UNK 0 16.064 -3.976 0.000 0.00 0.00 O+0 HETATM 25 C UNK 0 16.680 -5.421 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 18.209 -5.606 0.000 0.00 0.00 C+0 HETATM 27 O UNK 0 15.755 -6.652 0.000 0.00 0.00 O+0 HETATM 28 C UNK 0 13.444 -4.565 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 11.949 -4.198 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 11.305 -2.681 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 9.904 -3.409 0.000 0.00 0.00 C+0 HETATM 32 H UNK 0 13.015 -3.087 0.000 0.00 0.00 H+0 HETATM 33 C UNK 0 12.585 -1.608 0.000 0.00 0.00 C+0 HETATM 34 H UNK 0 13.651 -0.496 0.000 0.00 0.00 H+0 HETATM 35 C UNK 0 12.155 -0.129 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 11.025 -1.300 0.000 0.00 0.00 C+0 HETATM 37 O UNK 0 12.204 -2.445 0.000 0.00 0.00 O+0 HETATM 38 C UNK 0 11.751 -1.894 0.000 0.00 0.00 C+0 HETATM 39 H UNK 0 4.241 0.444 0.000 0.00 0.00 H+0 HETATM 40 C UNK 0 5.821 -1.341 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 7.721 -1.543 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 7.621 -3.564 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 8.308 0.138 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 10.034 0.206 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 6.994 0.707 0.000 0.00 0.00 C+0 CONECT 1 2 CONECT 2 1 3 4 CONECT 3 2 7 CONECT 4 2 5 36 CONECT 5 4 6 7 CONECT 6 5 CONECT 7 5 3 8 45 CONECT 8 7 9 39 40 CONECT 9 8 10 CONECT 10 9 11 12 CONECT 11 10 CONECT 12 10 13 CONECT 13 12 14 CONECT 14 13 15 CONECT 15 14 16 17 CONECT 16 15 CONECT 17 15 18 19 35 CONECT 18 17 CONECT 19 17 20 21 CONECT 20 19 CONECT 21 19 22 CONECT 22 21 23 32 33 CONECT 23 22 24 28 CONECT 24 23 25 CONECT 25 24 26 27 CONECT 26 25 CONECT 27 25 CONECT 28 23 29 CONECT 29 28 30 CONECT 30 29 31 33 CONECT 31 30 CONECT 32 22 CONECT 33 22 30 34 35 CONECT 34 33 CONECT 35 33 17 36 38 CONECT 36 35 4 37 CONECT 37 36 CONECT 38 35 CONECT 39 8 CONECT 40 8 41 CONECT 41 40 42 43 CONECT 42 41 CONECT 43 41 44 45 CONECT 44 43 CONECT 45 43 7 MASTER 0 0 0 0 0 0 0 0 45 0 98 0 END SMILES for NP0331395 (Glenthmycin L)[H][C@@]12C=C(C)[C@H](C)C[C@]11OC(=O)C(=C1O)C(=O)[C@]1(C)[C@@]([H])(C(C)=C[C@]3([H])[C@H](CC[C@H](C)[C@@]13[H])OC(C)=O)C(C)=CCC\C(C)=C/2 INCHI for NP0331395 (Glenthmycin L)InChI=1S/C35H46O6/c1-18-10-9-11-19(2)29-22(5)16-26-27(40-24(7)36)13-12-20(3)30(26)34(29,8)31(37)28-32(38)35(41-33(28)39)17-23(6)21(4)15-25(35)14-18/h11,14-16,20,23,25-27,29-30,38H,9-10,12-13,17H2,1-8H3/b18-14-,19-11-/t20-,23+,25+,26+,27-,29+,30+,34+,35-/m0/s1 3D Structure for NP0331395 (Glenthmycin L) | |||||||||||||||
Synonyms | Not Available | |||||||||||||||
Chemical Formula | C35H46O6 | |||||||||||||||
Average Mass | 562.7470 Da | |||||||||||||||
Monoisotopic Mass | 562.32944 Da | |||||||||||||||
IUPAC Name | Not Available | |||||||||||||||
Traditional Name | Not Available | |||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||
SMILES | [H][C@@]12C=C(C)[C@H](C)C[C@]11OC(=O)C(=C1O)C(=O)[C@]1(C)[C@@]([H])(C(C)=C[C@]3([H])[C@H](CC[C@H](C)[C@@]13[H])OC(C)=O)C(C)=CCC\C(C)=C/2 | |||||||||||||||
InChI Identifier | InChI=1S/C35H46O6/c1-18-10-9-11-19(2)29-22(5)16-26-27(40-24(7)36)13-12-20(3)30(26)34(29,8)31(37)28-32(38)35(41-33(28)39)17-23(6)21(4)15-25(35)14-18/h11,14-16,20,23,25-27,29-30,38H,9-10,12-13,17H2,1-8H3/b18-14-,19-11-/t20-,23+,25+,26+,27-,29+,30+,34+,35-/m0/s1 | |||||||||||||||
InChI Key | SJVDXIGEBQYNPB-GVDGQNNRSA-N | |||||||||||||||
Experimental Spectra | ||||||||||||||||
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Predicted Spectra | ||||||||||||||||
Not Available | ||||||||||||||||
Chemical Shift Submissions | ||||||||||||||||
Not Available | ||||||||||||||||
Species | ||||||||||||||||
Species of Origin | Not Available | |||||||||||||||
Chemical Taxonomy | ||||||||||||||||
Classification | Not classified | |||||||||||||||
Physical Properties | ||||||||||||||||
State | Not Available | |||||||||||||||
Experimental Properties |
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Predicted Properties |
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External Links | ||||||||||||||||
External Links | Not Available | |||||||||||||||
References | ||||||||||||||||
General References | Not Available |