BIRD-PRD_001218: Dityromycin

基本情報

• 登録情報: データベース: 生物学的重要分子辞書 (BIRD) / ID: PRD_001218
• 状態: 状態: REF ONLY
• 名称: Dityromycin

BIRD information

• タイプ: ペプチド様 / 抗生剤

詳細

• DITYROMYCIN IS A PEPTIDE ANTIBIOTIC ISOLATED FROM THE CULTURE BROTH OF THE SOIL MICROORGANISM, STREPTOMYCES SP. STRAIN NO. AM-2504, SHOWING ACTIVITIES AGAINST BACILLUS, CORYNEBACTERIUM, AND CLOSTRIDIUM.
• DITYROMYCIN WAS CLARIFIED TO BE COMPOSED OF N-MEVAL, PRO, VAL, PHENYLGLYCINE, CH3NH2, N,N-ME2THR AND DI-ALPHA-AMINO ACID CONTAINING DIPHENYLETHER MOIETY.

• ダウンロード: Molecular definition / Chemical definition

由来

• Streptomyces sp. (バクテリア), :

Chemical information

組成

組成式: C₆₇H₈₈N₁₀O₁₆ / 化学式量: 1289.473

• その他: タイプ: peptide-like

履歴

• 外部リンク: UniChem / ChemSpider / Wikipedia search / Google search

詳細

SMILES

• ACDLabs 12.01: O=C4OC(C)C(N(C)C)C(=O)NC(C(=O)NC(c1ccccc1)C(=O)N2CCCC2C(=O)N(C)C(C(=O)N\C(=C(/CO)C3OC3)C(=O)N8C(C(=O)NC6C(=O)N(C)C(C(=O)N(C4=Cc7ccc(Oc5c(OC)ccc(c5)C6O)cc7)C)C(C)C)CCC8)C(C)C)C(C)C
• CACTVS 3.385: COc1ccc2cc1Oc3ccc(cc3)C=C4N(C)C(=O)[CH](C(C)C)N(C)C(=O)[CH](NC(=O)[CH]5CCCN5C(=O)C(NC(=O)[CH](C(C)C)N(C)C(=O)[CH]6CCCN6C(=O)[CH](NC(=O)[CH](NC(=O)[CH]([CH](C)OC4=O)N(C)C)C(C)C)c7ccccc7)=C(CO)[CH]8CO8)[CH]2O
• OpenEye OEToolkits 1.7.6: CC1C(C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)NC(=C(CO)C3CO3)C(=O)N4CCCC4C(=O)NC5C(c6ccc(c(c6)Oc7ccc(cc7)C=C(C(=O)O1)N(C(=O)C(N(C5=O)C)C(C)C)C)OC)O)C(C)C)C)c8ccccc8)C(C)C)N(C)C

SMILES CANONICAL

• CACTVS 3.385: COc1ccc2cc1Oc3ccc(cc3)\C=C4/N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H]5CCCN5C(=O)C(/NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]6CCCN6C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](C)OC4=O)N(C)C)C(C)C)c7ccccc7)=C(CO)\[C@@H]8CO8)[C@@H]2O
• OpenEye OEToolkits 1.7.6: C[C@@H]1[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)N/C(=C(\CO)/[C@@H]3CO3)/C(=O)N4CCC[C@H]4C(=O)N[C@H]5[C@@H](c6ccc(c(c6)Oc7ccc(cc7)/C=C(/C(=O)O1)\N(C(=O)[C@@H](N(C5=O)C)C(C)C)C)OC)O)C(C)C)C)c8ccccc8)C(C)C)N(C)C

InChI

• InChI 1.03: InChI=1S/C67H88N10O16/c1-35(2)50-59(81)69-51(40-19-15-14-16-20-40)64(86)77-30-18-22-45(77)62(84)74(11)54(36(3)4)60(82)70-52(43(33-78)49-34-91-49)65(87)76-29-17-21-44(76)58(80)71-53-57(79)41-25-28-47(90-13)48(32-41)93-42-26-23-39(24-27-42)31-46(67(89)92-38(7)56(72(8)9)61(83)68-50)73(10)66(88)55(37(5)6)75(12)63(53)85/h14-16,19-20,23-28,31-32,35-38,44-45,49-51,53-57,78-79H,17-18,21-22,29-30,33-34H2,1-13H3,(H,68,83)(H,69,81)(H,70,82)(H,71,80)/b46-31?,52-43+

InChIKey

• InChI 1.03: RSUZULAECJTHIX-HMGAAVKQSA-N

SYSTEMATIC NAME

• ACDLabs 12.01: (1S,4S,10E,13S,16S,22S,25R,28R,29R,32Z,44R,47R)-28-(dimethylamino)-44-hydroxy-10-{2-hydroxy-1-[(2R)-oxiran-2-yl]ethylidene}-40-methoxy-14,29,46,49-tetramethyl-22-phenyl-13,25,47-tri(propan-2-yl)-30,38-dioxa-2,8,11,14,20,23,26,46,49-nonaazahexacyclo[30.12.5.2~34,37~.1~39,43~.0~4,8~.0~16,20~]dopentaconta-32,34,36,39(50),40,42,51-heptaene-3,9,12,15,21,24,27,31,45,48-decone (non-preferred name) #

PDBエントリ

全3件を表示しています

PDB-4v9r:
Crystal structure of antibiotic DITYROMYCIN bound to 70S ribosome

PDB-4v9s:
Crystal structure of antibiotic GE82832 bound to 70S ribosome

PDB-4wqu:
Crystal structure of the Thermus thermophilus 70S ribosome in complex with elongation factor G trapped by the antibiotic dityromycin