2-Amino-3-hydroxybutanoic acid

HCID 205CAS 144-98-9
部分構造検索類似構造を探す

基本情報

標準SMILES
CC(O)C(N)C(=O)O
InChIKey
AYFVYJQAPQTCCC-UHFFFAOYSA-N
分子式
C4H9NO3
平均分子量
119.12 g/mol
単同位体質量
119.05824315

概要

2-amino-3-hydroxybutanoic acid is an alpha-amino acid that is butanoic acid substituted by an amino group at position 2 and a hydroxy group at position 3. It has a role as a plant metabolite.

名称と識別子

優先名称
2-Amino-3-hydroxybutanoic acid
IUPAC
2-amino-3-hydroxybutanoic acid
英語名
2-Amino-3-hydroxybutanoic acid
分子式
C4H9NO3
分子量
119.12

名称と別名

2-amino-3-hydroxybutanoic acidCHEBI:38263DTXSID301015364RefChem:463904DTXCID40210085DL-Threonine80-68-27004-04-8Allo-DL-threonineDL-allo-Threonine144-98-9DL-2-Amino-3-hydroxybutanoic acid
名称をさらに表示
R-(R*,S*)]-2-Amino-3-hydroxybutanoic acid
2-amino-3-hydroxy-butanoic acidButanoic acid, 2-amino-3-hydroxy-MFCD00066665DL-Threonine (contains DL-Allothreonine)760PJT2SS0DL-allothreonineH-DL-allo-Thr-OHWLN: QY1&YZVQ -L

データベース識別子

CAS
144-98-9、24830-94-2、28954-12-3、632-20-2、7004-04-8、72-19-5、80-68-2
PubChem CID
205
DTXSID
DTXSID301015364
ChEMBL
CHEMBL30037
ChEBI
CHEBI:38263
UNII
760PJT2SS0
EC Number
201-300-6、205-645-3
Nikkaji
J1.252A

物性

構造計算による物性

XLogP
-2.9
極性表面積
83.6 Ų
水素結合供与体数
3
水素結合受容体数
4
回転可能結合数
2
重原子数
8

実験および物理化学的性質

Chemical ClassesBiological Agents -> Amino Acids and Derivatives
DrugsPharmaceuticals
Solubility · 2 件

Sparingly soluble in water; Soluble in buffer systems pH 5.5

Practically insoluble (in ethanol)

Physical Description · 2 件

Hemihydrate: Solid; [Merck Index] White powder; [Sigma-Aldrich MSDS]

White crystalline powder; slight savoury aroma

物理化学的性質

沸点
345.803 · 345.803±32.00 °C(Press: 760.00 Torr)(predicted)
比重(密度)
1.307 · 1.307±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
貯蔵温度
Keep in dark place,Inert atmosphere,Room temperature
酸解離定数(Pka)
2.186 · 2.186±0.10(predicted)

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 92.2% (214 of 232) of all reports.

Not Classified

Aggregated GHS information provided per 232 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory InformationChemical: DL-Threonine
Other Safety InformationIMAP assessments - DL-Threonine: Environment tier I assessment
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesNot Classified

毒性情報

Toxicity Summary · 1 件

L-Threonine is a precursor to the amino acids glycine and serine. It acts as a lipotropic in controlling fat build-up in the liver. May help combat mental illness and may be very useful in indigestion and intestinal malfunctions. Also, threonine prevents excessive liver fat. Nutrients are more readily absorbed when threonine is present.

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

安全データ

注意喚起語
警告
危険有害性情報
コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H302

化学と産業

薬理情報

Metabolism/MetabolitesHepatic

用途と製造

Uses · 2 件

An essential amino acid; [Merck Index]

L-Threonine makes up collagen, elastin, and enamel protein. It aids proper fat metabolism in the liver, helps the digestive and intestinal tracts function more smoothly, and assists in metabolism and assimilation.

Use ClassificationFlavoring Agents -> JECFA Flavorings Index

上流・下流製品情報

サプライヤー11 社

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]

関連反応

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