基本情報
- 標準SMILES
CC(C)(COP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS- InChIKey
JDMUPRLRUUMCTL-UHFFFAOYSA-N- 分子式
- C11H23N2O7PS
- 平均分子量
- 358.35 g/mol
概要
Pantetheine 4'-phosphate is a phosphopantetheine and a thiol. It has a role as a cofactor. It is a conjugate acid of a pantetheine 4'-phosphate(2-).
名称と識別子
- 優先名称
- n~3~-(2-Hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl)-n-(2-sulfanylethyl)-beta-alaninamide
- IUPAC
- [3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] dihydrogen phosphate
名称と別名
n~3~-[2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-n-(2-sulfanylethyl)-beta-alaninamide[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] dihydrogen phosphate(3-hydroxy-2,2-dimethyl-4-oxo-4-((3-oxo-3-(2-sulfanylethylamino)propyl)amino)butyl) dihydrogen phosphaten~3~-(2-Hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl)-n-(2-sulfanylethyl)-beta-alaninamideRefChem:366196pantotheine-4'-phosphateSCHEMBL1888154'-phosphopantetheine (95%)orb2817012orb2990746orb29907474?-Phosphopantetheine, free acid
名称をさらに表示
[3-Hydroxy-2,2-dimethyl-3-[2-(2-sulfanylethylcarbamoyl)ethylcarbamoyl]propoxy]phosphonic acidMFCD18427745DB-322336C300004Q27102113N(3)-[2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide
データベース識別子
- PubChem CID
- 987
- ChEBI
CHEBI:16858
物性
構造計算による物性
- XLogP
- -2.1
- 極性表面積
- 146 Ų
- 水素結合供与体数
- 6
- 水素結合受容体数
- 8
- 回転可能結合数
- 10
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 427
関連反応
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