基本情報
- CAS
61748-89-8- 標準SMILES
CC[C@@H](C)C(=O)C(=O)O- InChIKey
JVQYSWDUAOAHFM-SCSAIBSYSA-N- 分子式
- C6H10O3
- 平均分子量
- 130.14 g/mol
- 単同位体質量
- 130.06299418
概要
(R)-3-methyl-2-oxovaleric acid is the (R)-enantiomer of 3-methyl-2-oxovaleric acid. It is a conjugate acid of a (R)-3-methyl-2-oxovalerate. It is an enantiomer of a (S)-3-methyl-2-oxovaleric acid.
名称と識別子
- 優先名称
- (3R)-3-Methyl-2-oxopentanoic acid
- IUPAC
- (3R)-3-methyl-2-oxopentanoic acid
名称と別名
(3R)-3-Methyl-2-oxopentanoic acid(R)-2-Oxo-3-methylpentanoic acidRefChem:1050244(R)-2-Oxo-3-methylpentanoate61748-89-8D-2-Keto-3-methylvalerate(R)-3-Methyl-2-oxopentanoic acidPentanoic acid, 3-methyl-2-oxo-, (R)-UNII-2N24YSA6YZ2N24YSA6YZ3-Methyl-2-oxo-pentanoic acid, (+)-Pentanoic acid, 3-methyl-2-oxo-, (3R)-
名称をさらに表示
2oxo-3R-methyl-pentanoic acid(3R)-2-oxoisoleucine(R)-OMVSCHEMBL3860250CHEBI:28379(r)-2-oxo-3-methylvaleric acid(R)-3-methyl-2-oxovaleric acid(+)-3-methyl-2-oxo-pentanoic acid
データベース識別子
- CAS
61748-89-8- PubChem CID
- 440877
- ChEBI
CHEBI:28379- UNII
- 2N24YSA6YZ
- Nikkaji
- J264.813J
物性
構造計算による物性
- XLogP
- 1.1
- 極性表面積
- 54.4 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 3
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 128
実験および物理化学的性質
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
毒性情報
Health EffectsChronically high levels of 3-methyl-2-oxovaleric acid are associated with Maple Syrup Urine Disease.
Toxicity Summary
3-Methyl-2-oxovaleric acid is produced from isoleucine by cytosolic branched chain aminotransferase 1, whereupon it is further degraded by branched chain keto acid dehydrogenase E1 to 2-methyl-1-hydroxybutyl-ThPP. It is used as a clinical marker for maple syrup urine disease (MSUD). MSUD is caused by a deficiency of the branched-chain -keto acid dehydrogenase complex resulting in an accumulation of branched-chain amino acids and the corresponding -keto-and -hydroxy acids in blood, urine and cerebrospinal fluid causing neurological damage and mental retardation.
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
化学と産業
用途と製造
UsesThis is an endogenously produced metabolite found in the human body. It is used in metabolic reactions, catabolic reactions or waste generation.
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…