catenulobactin B

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: catenulobactin B
• 英文别名: Catenulobactin B；(2R)-5-[hydroxy-[(4S,5R)-2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]-2-[[(4S,5R)-2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]pentanoic acid
• 化学式: C₂₇H₃₀N₄O₉
• 分子量: 554.557
• InChiKey: LDZQYJVRAADCDV-BUKMRGBOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  40
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  191
• 氢给体数：
  5
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  catenulobactin B 以 aq. phosphate buffer 为溶剂， 生成 catenulobactin A
  参考文献：
  名称：

  Catenulobactins A and B, Heterocyclic Peptides from Culturing Catenuloplanes sp. with a Mycolic Acid-Containing Bacterium

  摘要：

  The production of two new heterocyclic peptide isomers, catenulobactins A (1) and B (2), in cultures of Catenuloplanes sp. RD067331 was significantly increased when it was cocultured with a mycolic acid-containing bacterium. The planar structures and absolute configurations of the catenulobactins were determined based on NMR/MS and chiral-phase GC-MS analyses. Catenulobactin B (2) displayed Fe(III)-chelating activity and moderate cytotoxicity against P388 murine leukemia cells.

  DOI：

  10.1021/acs.jnatprod.8b00261

文献信息

• Catenulobactins A and B, Heterocyclic Peptides from Culturing <i>Catenuloplanes</i> sp. with a Mycolic Acid-Containing Bacterium
  作者：Shotaro Hoshino、Masahiro Ozeki、Takayoshi Awakawa、Hiroyuki Morita、Hiroyasu Onaka、Ikuro Abe

  DOI：10.1021/acs.jnatprod.8b00261

  日期：2018.9.28

  The production of two new heterocyclic peptide isomers, catenulobactins A (1) and B (2), in cultures of Catenuloplanes sp. RD067331 was significantly increased when it was cocultured with a mycolic acid-containing bacterium. The planar structures and absolute configurations of the catenulobactins were determined based on NMR/MS and chiral-phase GC-MS analyses. Catenulobactin B (2) displayed Fe(III)-chelating activity and moderate cytotoxicity against P388 murine leukemia cells.