BIRD-PRD_001136: Chromomycin A3, Monomer

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_001136
• 状態: 状態: REF ONLY
• 名称: Chromomycin A3, Monomer

BIRD information

• タイプ: オリゴ糖 / 抗生剤

詳細

• Chromomycin A3 is an anthraquinone. It is a glycosidic antibiotic produced at the fermentation of a strain of Streptomyces griseus. It is also called toyomycin.

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

由来

• Streptomyces griseus (ストレプトマイシン生産菌), :

Chemical information

組成

組成式: C₅₇H₈₂O₂₆ / 化学式量: 1183.245

• 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=C(OC1C(O)(C)CC(OC1C)OC2CC(OC(C)C2O)OC3CC(OC(C)C3O)OC8C(=O)c7c(cc6cc(OC5OC(C(OC(=O)C)C(OC4OC(C(OC)C(O)C4)C)C5)C)c(c(O)c6c7O)C)CC8C(OC)C(=O)C(O)C(O)C)C
• CACTVS 3.385: CO[CH]1[CH](O)C[CH](O[CH]1C)O[CH]2C[CH](O[CH](C)[CH]2OC(C)=O)Oc3cc4cc5C[CH]([CH](OC)C(=O)[CH](O)[CH](C)O)[CH](O[CH]6C[CH](O[CH]7C[CH](O[CH]8C[C](C)(O)[CH](OC(C)=O)[CH](C)O8)[CH](O)[CH](C)O7)[CH](O)[CH](C)O6)C(=O)c5c(O)c4c(O)c3C
• OpenEye OEToolkits 1.7.6: Cc1c(cc2cc3c(c(c2c1O)O)C(=O)C(C(C3)C(C(=O)C(C(C)O)O)OC)OC4CC(C(C(O4)C)O)OC5CC(C(C(O5)C)O)OC6CC(C(C(O6)C)OC(=O)C)(C)O)OC7CC(C(C(O7)C)OC(=O)C)OC8CC(C(C(O8)C)OC)O

SMILES CANONICAL

• CACTVS 3.385: CO[C@@H]1[C@H](O)C[C@H](O[C@@H]1C)O[C@@H]2C[C@@H](O[C@H](C)[C@@H]2OC(C)=O)Oc3cc4cc5C[C@@H]([C@H](OC)C(=O)[C@@H](O)[C@@H](C)O)[C@H](O[C@H]6C[C@@H](O[C@H]7C[C@@H](O[C@H]8C[C@](C)(O)[C@@H](OC(C)=O)[C@H](C)O8)[C@H](O)[C@@H](C)O7)[C@H](O)[C@@H](C)O6)C(=O)c5c(O)c4c(O)c3C
• OpenEye OEToolkits 1.7.6: Cc1c(cc2cc3c(c(c2c1O)O)C(=O)[C@H]([C@@H](C3)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)O[C@H]4C[C@H]([C@@H]([C@H](O4)C)O)O[C@H]5C[C@H]([C@@H]([C@H](O5)C)O)O[C@H]6C[C@]([C@H]([C@@H](O6)C)OC(=O)C)(C)O)OC7C[C@H]([C@H]([C@H](O7)C)OC(=O)C)O[C@H]8C[C@H]([C@H]([C@H](O8)C)OC)O

InChI

• InChI 1.03: InChI=1S/C57H82O26/c1-21-34(79-40-19-37(53(26(6)75-40)77-28(8)59)82-38-16-33(61)52(70-11)25(5)74-38)15-31-13-30-14-32(54(71-12)51(68)46(63)22(2)58)55(50(67)44(30)49(66)43(31)45(21)62)83-41-18-35(47(64)24(4)73-41)80-39-17-36(48(65)23(3)72-39)81-42-20-57(10,69)56(27(7)76-42)78-29(9)60/h13,15,22-27,32-33,35-42,46-48,52-56,58,61-66,69H,14,16-20H2,1-12H3/t22?,23?,24?,25?,26?,27?,32?,33?,35?,36?,37?,38?,39?,40?,41?,42?,46?,47?,48?,52?,53?,54?,55?,56?,57-/m0/s1

InChIKey

• InChI 1.03: ZYVSOIYQKUDENJ-YFPVUNPNSA-N

SYSTEMATIC NAME

• ACDLabs 12.01: (1S)-1-C-[(2S,3R)-7-{[4-O-acetyl-2,6-dideoxy-3-O-(2,6-dideoxy-4-O-methyl-beta-D-lyxo-hexopyranosyl)-beta-D-arabino-hexopyranosyl]oxy}-3-{[4-O-acetyl-2,6-dideoxy-3-C-methyl-beta-D-xylo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-lyxo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-lyxo-hexopyranosyl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-5-deoxy-1-O-methyl-D-ribulose
• OpenEye OEToolkits 1.7.6: [(2R,3S,4R)-6-[[(6S,7S)-6-[(2S,4R,5R,6R)-4-[(2S,4R,5R,6R)-4-[(2S,4S,5S,6S)-5-acetyloxy-4,6-dimethyl-4-oxidanyl-oxan-2-yl]oxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-7-[(1S,3S,4R)-1-methoxy-3,4-bis(oxidanyl)-2-oxidanylidene-pentyl]-3-methyl-4,10-bis(oxidanyl)-5-oxidanylidene-7,8-dihydro-6H-anthracen-2-yl]oxy]-4-[(2S,4R,5R,6R)-5-methoxy-6-methyl-4-oxidanyl-oxan-2-yl]oxy-2-methyl-oxan-3-yl] ethanoate

PDBエントリ

全3件を表示しています

PDB-5xjw:
Crystal Structure of the [Co2+-(Chromomycin A3)2]-CCG repeats Complex

PDB-5xjw:
Crystal Structure of the [Co2+-(Chromomycin A3)2]-CCG repeats Complex

PDB-5xjw:
Crystal Structure of the [Co2+-(Chromomycin A3)2]-CCG repeats Complex