(3E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA(4-)

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (3E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA(4-)
• 英文别名: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-[2-[(3E,7Z,10Z,13Z,16Z,19Z)-docosa-3,7,10,13,16,19-hexaenoyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate
• 化学式: C43H62N7O17P3S-4
• 分子量: 1074.0
• InChiKey: SMXVAIMPVOMQLT-OBGVZRINSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  71
• 可旋转键数：
  33
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  400
• 氢给体数：
  5
• 氢受体数：
  22

反应信息

• 作为产物：
  描述：

  (2E,4Z,7Z,10Z,13Z,16Z,19Z)-docosaheptaenoyl-CoA(4-) 、 氢(+1)阳离子 、 NADPH(4-) 生成 (3E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA(4-) 、 NADP⁺
  参考文献：
  名称：

  Characterisation of human peroxisomal 2,4-dienoyl-CoA reductase1The sequence was deposited in the EMBL database (AJ293009).12During the preparation of this manuscript, the sequence of clone LA61-359F1 was finalised (AL023881 version 24) and an ORF was deduced which was identical to the cloned pDCR cDNA.2

  摘要：

  Based on the primary structure of the rat peroxisomal 2,4-dienoyl-CoA reductase (M. Fransen, P.P. Van Veldhoven, S. Subramani, Biochem. J. 340 (1999) 561-568), the cDNA of the human counterpart was cloned. It contained an open reading frame of 878 bases encoding a protein of 291 amino acids (calculated molecular mass 30 778 Da), being 83% identical to the rat reductase. The gene, encompassing nine exons, is located at chromosome 16p13. Bacterially expressed poly(His)tagged reductase was active not only towards short and medium chain 2,4-dienoyl-CoAs, but also towards 2,4,7,10,13,16,19-docosaheptaenoyl-CoA. Hence, the reductase does not seem to constitute a rate limiting step in the peroxisomal degradation of docosahexaenoic acid. The reduction of docosaheptaenoyl-CoA, however, was severely decreased in the presence of albumin. (C) 2001 Elsevier Science B.V. Al rights reserved.

  DOI：

  10.1016/s1388-1981(01)00141-x