基本情報
- CAS
25119-42-0- 標準SMILES
CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCC(=O)O- InChIKey
SPNAEHGLBRRCGL-BIEWRJSYSA-N- 分子式
- C27H44N7O19P3S
- 平均分子量
- 895.7 g/mol
- 単同位体質量
- 895.16255437
概要
Adipoyl-CoA is an alpha, dicarboxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with one of the carboxy groups of adipic acid. It is functionally related to a hexanoyl-CoA and an adipic acid. It is a conjugate acid of an adipoyl-CoA(5-).
名称と識別子
- 優先名称
- Adipoyl-CoA
- IUPAC
- 6-[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]-6-oxohexanoic acid
名称と別名
adipoyl-CoA5-Carboxypentanoyl-CoACHEBI:345286-[(2-{3-[(2R)-3-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido]propanamido}ethyl)sulfanyl]-6-oxohexanoic acid6-[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]-6-OXOHEXANOIC ACID6-((2-(3-((2R)-3-((((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)methyl)-2-hydroxy-3-methylbutanamido)propanamido)ethyl)sulfanyl)-6-oxohexanoic acidRefChem:10761926-(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)-6-oxohexanoic acidAdipyl-CoA5-carboxypentanoyl-coenzyme AAdipoyl-Coenzyme A (sodium salt)Adipyl-CoA; (Acyl-CoA); [M+H]+;
名称をさらに表示
adipoyl-coenzyme AS-(hydrogen hexanedioateS-(hydrogen hexanedioic acidS-(hydrogen hexanedioate)CoAorb3144348SCHEMBL29359379S-(hydrogen hexanedioate)Coenzyme ALMFA07050284
データベース識別子
- CAS
25119-42-0- PubChem CID
- 9543333
- ChEBI
CHEBI:34528
物性
構造計算による物性
- XLogP
- -5.5
- 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
- 25
- 重原子数
- 57
- 形式電荷
- 0
- 複雑度
- 1,550
実験および物理化学的性質
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Fatty acyl CoAs [FA0705]
Physical DescriptionSolid
化学と産業
薬理情報
Cellular LocationsExtracellular
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…