2-Amino-3-methylpentanoic acid

HCID 791CAS 1509-34-8

基本情報

標準SMILES
CCC(C)C(N)C(=O)O
InChIKey
AGPKZVBTJJNPAG-UHFFFAOYSA-N
分子式
C6H13NO2
平均分子量
131.17 g/mol
単同位体質量
131.09462866

概要

2-amino-3-methylpentanoic acid is a branched chain amino acid that consists of 3-methylpentanoic acid bearing an amino substituent at position 2. It is a branched-chain amino acid and an alpha-amino acid.

名称と識別子

優先名称
2-Amino-3-methylpentanoic acid
IUPAC
2-amino-3-methylpentanoic acid

名称と別名

2-Amino-3-methylpentanoic acidCHEBI:38264RefChem:463945DL-ISOLEUCINE443-79-82095501-92-92-amino-3-methyl-pentanoic acidH-DL-allo-Ile-OHIsoleucine, DL-3107-04-8DL-2-Amino-3-methylpentanoic acidMFCD00065934
名称をさらに表示
MFCD00066681Isoleucine, allo-Isoleucine, threo-MFCD00004268L-Isoleucine, allo-L-Isoleucine, threo-L(+)-Isoleucine(2S,3S)-Alpha-amino-beta-merthylvalericacid

データベース識別子

CAS
1509-34-8、2095501-92-9、3107-04-8、443-79-8、73-32-5
PubChem CID
791
DTXSID
DTXSID80901480
ChEBI
CHEBI:38264
EC Number
221-464-2
Nikkaji
J1.283A

物性

構造計算による物性

XLogP
-1.7
極性表面積
63.3 Ų
水素結合供与体数
2
水素結合受容体数
3
回転可能結合数
3
重原子数
9

実験および物理化学的性質

Chemical ClassesBiological Agents -> Amino Acids and Derivatives
DrugsPharmaceuticals
LogP-1.70
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Solubility · 3 件

21.4 mg/mL at 25 °C

Soluble in water; Insoluble in ether

Insoluble (in ethanol)

Boiling Point225.00 to 226.00 °C. @ 760.00 mm Hg

安全と法規制

危険有害性情報

Regulatory InformationChemical: DL-Isoleucine
Other Safety InformationIMAP assessments - DL-Isoleucine: Environment tier I assessment
Hazards SummarySafe when used as a flavoring agent in food; [JECFA] May cause irritation; [Sigma-Aldrich MSDS]

毒性情報

Exposure RoutesAbsorbed from the small intestine by a sodium-dependent active-transport process
Toxicity Summary · 1 件

(Applies to Valine, Leucine and Isoleucine) <br/>This group of essential amino acids are identified as the branched-chain amino acids, BCAAs. Because this arrangement of carbon atoms cannot be made by humans, these amino acids are an essential element in the diet. The catabolism of all three compounds initiates in muscle and yields NADH and FADH2 which can be utilized for ATP generation. The catabolism of all three of these amino acids uses the same enzymes in the first two steps. The first step in each case is a transamination using a single BCAA aminotransferase, with a-ketoglutarate as amine acceptor. As a result, three different a-keto acids are produced and are oxidized using a common branched-chain a-keto acid dehydrogenase, yielding the three different CoA derivatives. Subsequently the metabolic pathways diverge, producing many intermediates. <br/>The principal product from valine is propionylCoA, the glucogenic precursor of succinyl-CoA. Isoleucine catabolism terminates with production of acetylCoA and propionylCoA; thus isoleucine is both glucogenic and ketogenic. Leucine gives rise to acetylCoA and acetoacetylCoA, and is thus classified as strictly ketogenic. <br/>There are a number of genetic diseases associated with faulty catabolism of the BCAAs. The most common defect is in the branched-chain a-keto acid dehydrogenase. Since there is only one dehydrogenase enzyme for all three amino acids, all three a-keto acids accumulate and are excreted in the urine. The disease is known as Maple syrup urine disease because of the characteristic odor of the urine in afflicted individuals. Mental retardation in these cases is extensive. Unfortunately, since these are essential amino acids, they cannot be heavily restricted in the diet; ultimately, the life of afflicted individuals is short and development is abnormal The main neurological problems are due to poor formation of myelin in the CNS.

Signs and SymptomsSymptoms of hypoglycemia
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

化学と産業

薬理情報

Metabolism/MetabolitesHepatic
Cellular LocationsCytoplasm

用途と製造

Uses · 3 件

Isoleucine is an essential amino acid; [Merck Index] Used as a flavoring agent; [FDA] Used in animal feeds; [ExPub: EFSA]

Farming (Feed Additives) [Category: Industry]

The branched-chain amino acids may have antihepatic encephalopathy activity in some. They may also have anticatabolic and antitardive dyskinesia activity.

Use Classification · 3 件

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

関連反応

19 件

関連ノート

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