基本情報
- CAS
73173-92-9- 標準SMILES
C[C@H](C(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O- InChIKey
MZFOKIKEPGUZEN-AGCMQPJKSA-N- 分子式
- C25H40N7O19P3S
- 平均分子量
- 867.6 g/mol
- 単同位体質量
- 867.13125424
概要
(R)-methylmalonyl-CoA is the (R)-enantiomer of methylmalonyl-CoA. It has a role as a mouse metabolite. It is functionally related to a coenzyme A. It is a conjugate acid of a (R)-methylmalonyl-CoA(5-).
名称と識別子
- 優先名称
- (R)-Methylmalonyl-CoA
- IUPAC
- (2R)-3-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2-methyl-3-oxopropanoic acid
- 現地名
- (R)-メチルマロニルCoA
- 英語名
- R-Methylmalonyl-CoA
- 分子式
- C25H40N7O19P3S
- 分子量
- 867.61
名称と別名
(R)-methylmalonyl-CoAmethylmalonyl-coenzyme A(R)-2-Methyl-3-oxopropanoyl-CoA(R)-2-Methyl-3-oxopropionyl-CoA(R)-3-Oxo-2-methylpropanoyl-CoAL-methylmalonyl-CoACHEBI:15465(2R)-3-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2-methyl-3-oxopropanoic acid3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2R)-2-methyl-3-oxopropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}(2R)-3-(2-(3-(((2R)-4-((((2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl)methoxy-hydroxyphosphoryl)oxy-hydroxyphosphoryl)oxy-2-hydroxy-3,3-dimethylbutanoyl)amino)propanoylamino)ethylsulfanyl)-2-methyl-3-oxopropanoic acid3'-phosphoadenosine 5'-(3-((3R)-3-hydroxy-2,2-dimethyl-4-((3-((2-(((2R)-2-methyl-3-oxopropanoyl)sulfanyl)ethyl)amino)-3-oxopropyl)amino)-4-oxobutyl) dihydrogen diphosphate)RefChem:407410
物性
構造計算による物性
- XLogP
- -5.4
- 極性表面積
- 426 Ų
- 水素結合供与体数
- 10
- 水素結合受容体数
- 24
- 回転可能結合数
- 22
- 重原子数
- 55
- 形式電荷
- 0
- 複雑度
- 1,530
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Fatty acyl CoAs [FA0705]
化学と産業
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