BIRD-PRD_000483: Bacillomycin Lc

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_000483
• 状態: 状態: REF ONLY
• 名称: Bacillomycin Lc

BIRD information

• タイプ: ポリペプチド / 抗生剤

詳細

• BACILLOMYCIN LC IS A CYCLIC HEPTA-LIPOPETIDE. HERE, BACILLOMYCIN IS REPRESENTED BY THE SEQUENCE (SEQRES)
• BACILLOMYCIN LC IS A CYCLIC HEPTA-LIPOPETIDE WITH 7 AMINO-ACIDS OF CONFIGURATION LDDLLDL AND ONE D-BETA-AMINO CARBOXYLIC ACID. THE FATTY ACID IS LINKED VIA A PEPTID BOND TO BOTH RESIDUES 2 AND 8.

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

別称

• BACILLOMYCIN (PDB)
• Bacillomycin Lc (SciFinder)

Annotation

• 分子機能: surfactant / 情報源: Norine
• 分子機能: antifungal antibiotic / 情報源: PubMed: 17129757
• 分子機能: Antifungal / 情報源: NovelAntibiotics

由来

• Bacillus subtilis (枯草菌), Norine: NOR00781

External info

• ChemDB: 9744759
• NovelAntibiotics: 480358
• Norine: NOR00223
• CAS: 930775-23-8
• [MESH_Unique_ID] MESH: C097818
• http://en.wikipedia.org/

Family

Bacillomycin

Bacillomycin Lc / BACILLOMYCIN L-3

Chemical information

組成

組成式: C₄₇H₇₄N₁₀O₁₆ / 化学式量: 1035.148

• 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(O)CCC1C(=O)NC(C(=O)NC(C(=O)NC(CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CO)CC(=O)N)Cc2ccc(O)cc2)CC(=O)N)CCCCCCCCC(C)CC)C(O)C)CO
• CACTVS 3.370: CC[CH](C)CCCCCCCC[CH]1CC(=O)N[CH](CC(N)=O)C(=O)N[CH](Cc2ccc(O)cc2)C(=O)N[CH](CC(N)=O)C(=O)N[CH](CO)C(=O)N[CH](CCC(O)=O)C(=O)N[CH](CO)C(=O)N[CH]([CH](C)O)C(=O)N1
• OpenEye OEToolkits 1.7.6: CCC(C)CCCCCCCCC1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C(C)O)CO)CCC(=O)O)CO)CC(=O)N)Cc2ccc(cc2)O)CC(=O)N

SMILES CANONICAL

• CACTVS 3.370: CC[C@@H](C)CCCCCCCC[C@@H]1CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1
• OpenEye OEToolkits 1.7.6: CC[C@@H](C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)[C@@H](C)O)CO)CCC(=O)O)CO)CC(=O)N)Cc2ccc(cc2)O)CC(=O)N

InChI

• InChI 1.03: InChI=1S/C47H74N10O16/c1-4-25(2)11-9-7-5-6-8-10-12-28-20-38(64)51-32(21-36(48)62)43(69)53-31(19-27-13-15-29(61)16-14-27)42(68)54-33(22-37(49)63)44(70)56-34(23-58)45(71)52-30(17-18-39(65)66)41(67)55-35(24-59)46(72)57-40(26(3)60)47(73)50-28/h13-16,25-26,28,30-35,40,58-61H,4-12,17-24H2,1-3H3,(H2,48,62)(H2,49,63)(H,50,73)(H,51,64)(H,52,71)(H,53,69)(H,54,68)(H,55,67)(H,56,70)(H,57,72)(H,65,66)/t25-,26-,28-,30+,31-,32+,33-,34+,35-,40+/m1/s1

InChIKey

• InChI 1.03: NQVXMDQIMLSRNG-XKRGSJKJSA-N

SYSTEMATIC NAME

• ACDLabs 12.01: 3-{(3S,6R,9S,12S,15R,18R,21S,25R)-15,21-bis(2-amino-2-oxoethyl)-18-(4-hydroxybenzyl)-3-[(1R)-1-hydroxyethyl]-6,12-bis(hydroxymethyl)-25-[(9R)-9-methylundecyl]-2,5,8,11,14,17,20,23-octaoxo-1,4,7,10,13,16,19,22-octaazacyclopentacosan-9-yl}propanoic acid
• OpenEye OEToolkits 1.7.6: 3-[(3S,6R,9S,12S,15R,18R,21S,25R)-15,21-bis(2-azanyl-2-oxidanylidene-ethyl)-6,12-bis(hydroxymethyl)-18-[(4-hydroxyphenyl)methyl]-25-[(9R)-9-methylundecyl]-3-[(1R)-1-oxidanylethyl]-2,5,8,11,14,17,20,23-octakis(oxidanylidene)-1,4,7,10,13,16,19,22-octazacyclopentacos-9-yl]propanoic acid

PDBエントリ

全1件を表示しています

PDB-2igz:
NMR structure of the sterol-dependent antifungal antibiotic bacillomycin Lc