ChemComp-SRN: SORANGICIN A

基本情報

• 登録情報: データベース: PDB化学物質要素 / ID: SRN
• 名称: 名称: sorangicin A

Chemical information

組成

組成式: C₄₇H₆₆O₁₁ / 原子数: 124 / 化学式量: 807.02 / 形式電荷: 0

• その他: タイプ: NON-POLYMER / PDB分類: HETAD / 3文字コード: SRN

履歴

作成	2005年1月25日
記述子を修正	2011年6月4日

• 外部リンク: UniChem / GtoPharmacology / PubChem / PubChem_TPharma / ZINC / ChemSpider / Wikipedia search / Google search

詳細

SMILES

• ACDLabs 10.04: O=C2OC1C=CC(OC1C(=C/C(C)CCCCC(=O)O)/C)CC=CCCC=CC(O)C(O)C5OC(CC=CC4OC3CC(OC3C=CC=CC=C2)C4C)C(C)C(O)C5
• CACTVS 3.341: C[CH](CCCCC(O)=O)C=C(C)[CH]1O[CH]2CC=CCCC=C[CH](O)[CH](O)[CH]3C[CH](O)[CH](C)[CH](CC=C[CH]4O[CH]5C[CH](O[CH]5C=CC=CC=CC(=O)O[CH]1C=C2)[CH]4C)O3
• OpenEye OEToolkits 1.5.0: CC1C2CC=CC3C(C4CC(O3)C(O4)C=CC=CC=CC(=O)OC5C=CC(CC=CCCC=CC(C(C(O2)CC1O)O)O)OC5C(=CC(C)CCCCC(=O)O)C)C

SMILES CANONICAL

• CACTVS 3.341: C[C@H](CCCCC(O)=O)\C=C(/C)[C@@H]1O[C@H]2C\C=C\CC\C=C\[C@H](O)[C@H](O)[C@H]3C[C@H](O)[C@@H](C)[C@@H](C\C=C\[C@@H]4O[C@@H]5C[C@@H](O[C@@H]5\C=C\C=C/C=C\C(=O)O[C@H]1C=C2)[C@H]4C)O3
• OpenEye OEToolkits 1.5.0: C[C@H]1[C@H]2C\C=C\[C@H]3[C@@H]([C@H]4C[C@@H](O3)[C@H](O4)/C=C/C=C\C=C/C(=O)O[C@H]5C=C[C@H](C\C=C\CC\C=C\[C@@H]([C@@H]([C@H](O2)C[C@@H]1O)O)O)O[C@H]5/C(=C/[C@H](C)CCCCC(=O)O)/C)C

InChI

• InChI 1.03: InChI=1S/C47H66O11/c1-30(17-14-15-23-44(50)51)27-31(2)47-40-26-25-34(54-47)18-10-6-5-7-11-19-35(48)46(53)43-28-36(49)32(3)37(56-43)21-16-22-38-33(4)41-29-42(55-38)39(57-41)20-12-8-9-13-24-45(52)58-40/h6,8-13,16,19-20,22,24-27,30,32-43,46-49,53H,5,7,14-15,17-18,21,23,28-29H2,1-4H3,(H,50,51)/b9-8-,10-6+,19-11+,20-12+,22-16+,24-13-,31-27+/t30-,32-,33+,34+,35+,36+,37-,38+,39-,40+,41-,42-,43-,46+,47+/m1/s1

InChIKey

• InChI 1.03: OTABDKFPJQZJRD-QLGZCQHWSA-N

SYSTEMATIC NAME

• ACDLabs 10.04: (6R,7E)-6-methyl-8-[(1S,4Z,6Z,8E,10R,12R,14R,16S,17E,20R,21R,22S,24R,25S,26S,27E,31E,34S,36S,40R)-22,25,26-trihydroxy-21,40-dimethyl-3-oxo-2,11,15,35,39-pentaoxapentacyclo[32.2.2.1~12,16~.1~20,24~.0~10,14~]tetraconta-4,6,8,17,27,31,37-heptaen-36-yl]non-7-enoic acid (non-preferred name)

PDBエントリ

全6件を表示しています

PDB-1ynj:
Taq RNA polymerase-Sorangicin complex

PDB-6vvs:
Crystal structure of a Mycobacterium smegmatis RNA polymerase transcription initiation complex with antibiotic Sorangicin

PDB-6vvt:
Crystal structure of a Mycobacterium smegmatis transcription initiation complex with Rifampicin-resistant RNA polymerase and antibiotic Sorangicin

PDB-6vvx:
Mycobacterium tuberculosis WT RNAP transcription initiation intermediate structure with Sorangicin

PDB-6vvy:
Mycobacterium tuberculosis WT RNAP transcription open promoter complex with Sorangicin

PDB-6vvz:
Mycobacterium tuberculosis RNAP S456L mutant transcription initiation intermediate structure with Sorangicin