73173-91-8 ((2S)-Methylmalonyl-CoA,Coenzyme A, S-[(S)-hydrogen methylpropanedioate])

CAS号:
73173-91-8
中文名称:
(2S)-Methylmalonyl-CoA
英文名称:
Coenzyme A, S-[(S)-hydrogen methylpropanedioate]
分子式:
C25H40N7O19P3S
分子量:
867.606887817383

(2S)-Methylmalonyl-CoA(73173-91-8)名称与标识符

名称

英文别名:
Coenzyme A,S-[(S)-hydrogen methylpropanedioate];(2S)-2-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino];LogP; (S)-Methylmalonyl-CoA ; (2S)-Methylmalonyl-CoA;(2S)-Methylmalonoyl-CoA;Coenzyme A, S-[(S)-hydrogen methylpropanedioate];(R)-methylmalonyl-Coenzyme A;DTXSID00331402;CH3-malonyl-Coenzyme A;D-methylmalonyl-Coenzyme A;L-methylmalonyl-Coenzyme A;methyl-malonyl-coenzyme A;(S)-2-Methyl-3-oxopropanoyl-CoA;(S)-methyl-malonyl-Coenzyme A;73173-91-8;CH3-malonyl-CoA;(S)-methyl-malonyl-CoA;(2S)-Methylmalonyl-CoA;(S)-Methylmalonyl-CoA;

标识符

InChIKey:
MZFOKIKEPGUZEN-PNEPRAIJSA-N
Inchi:
1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t12-,13+,16+,17+,18?,22+/m0/s1
SMILES:
S(C([C@H](C(=O)O)C)=O)CCNC(CCNC(C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)OP(=O)(O)O)O)=O)=O

(2S)-Methylmalonyl-CoA(73173-91-8)物化性质

计算特性

  • 精确分子量 : 867.13125424g/mol
  • 氢键供体数量 : 10
  • 氢键受体数量 : 24
  • 可旋转化学键数量 : 22
  • 同位素质量 : 867.13125424g/mol
  • 重原子数量 : 55
  • 复杂度 : 1530
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 5
  • 不确定原子立构中心数量 : 1
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : -5.4
  • 拓扑分子极性表面积 : 426Ų

(2S)-Methylmalonyl-CoA(73173-91-8)推荐厂家 更多厂家(1)

公司名称手机号/电话联系人QQ微信询单
上海楷森生物科技有限公司 17558870519
175-58870519
赵经理 3003926540
询单

(2S)-Methylmalonyl-CoA(73173-91-8)合成路线

合成路线:1 步
反应条件:
参考文献:
Metabolic pathway engineering for complex polyketide biosynthesis in Saccharomyces cerevisiae
By Mutka, Sarah C. et al, FEMS Yeast Research, 2006, 6(1), 40-47
合成路线:1 步
反应条件:
参考文献:
Enhancing the Atom Economy of Polyketide Biosynthetic Processes through Metabolic Engineering
By Lombo, Felipe et al, Biotechnology Progress, 2001, 17(4), 612-617

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