N-((R)-4-phosphopantothenoyl)-L-cysteine

HCID 440304

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 7196-09-0
標準SMILES: CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS)C(=O)O
InChIKey: XQYALQVLCNHCFT-CBAPKCEASA-N
分子式: C12H23N2O9PS
平均分子量: 402.36 g/mol
単同位体質量: 402.08618849

名称と識別子

優先名称: N-((R)-4-phosphopantothenoyl)-L-cysteine
IUPAC: (2R)-2-[3-[[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl]amino]propanoylamino]-3-sulfanylpropanoic acid
英語名: (2R)-2-[3-[[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl]amino]propanoylamino]-3-sulfanylpropanoic acid
分子式: C12H23N2O9PS
分子量: 402.36

名称と別名

N-[(R)-4-phosphopantothenoyl]-L-cysteine(2R)-2-[3-[[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl]amino]propanoylamino]-3-sulfanylpropanoic acidCHEBI:15769N-((R)-4-phosphopantothenoyl)-L-cysteine(2R)-2-(3-(((2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl)amino)propanoylamino)-3-sulfanylpropanoic acidRefChem:10907404'-Phosphopantothenoyl-L-cysteine7196-09-0Pantothenylcysteine 4'-phosphate(R)-4'-Phosphopantothenoyl-L-cysteine4'-phosphopantothenoylcysteineN-((R)-4'-phosphopantothenoyl)-L-cysteine

名称をさらに表示

Amobam Zinc4-Phosphopantothenoylcysteine(3-((R)-2-Hydroxy-3,3-dimethyl-4-(phosphonooxy)butanamido)propanoyl)-L-cysteineL-Cysteine, N-[(2R)-2-hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl]-β-alanyl-(2R)-2-[3-[[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl]amino]propanoylamino]-3-sulfanylpropa

N-[(R)-4'-Phosphopantothenoyl]-L-cysteineN-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl-L-cysteine4-P-N-pantothenoylcysteine4'-P-N-pantothenoylcysteineL-Cysteine, N-(N-(2-hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl)-beta-alanyl)-, (R)-4'-phospho-N-pantothenoylcysteine(R)-4'-phospho-N-pantothenoyl-L-cysteineC04352

データベース識別子

CAS: 7196-09-0
PubChem CID: 440304
DTXSID: DTXSID80222243
ChEBI: CHEBI:15769
Nikkaji: J1.572.366A

物性

構造計算による物性

XLogP: -2.5
極性表面積: 183 Å²
水素結合供与体数: 7
水素結合受容体数: 10
回転可能結合数: 11
重原子数: 25
形式電荷: 0
複雑度: 537

実験および物理化学的性質

Physical DescriptionSolid

物理化学的性質

比重(密度): 1.484 · 1.484±0.06 g/cm3(Predicted)
酸解離定数(Pka): 1.89 · 1.89±0.10(Predicted)

化学と産業

薬理情報

Cellular LocationsCytoplasm

Metabolite PathwaysPantothenate and CoA Biosynthesis

サプライヤー2 社

河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]

南通韦恩迪医药科技有限公司18071612016 · [email protected]

化合物ノート

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