2-Amino-3-hydroxybutanoic acid

HCID 205CAS 144-98-9
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC(O)C(N)C(=O)O
InChIKey
AYFVYJQAPQTCCC-UHFFFAOYSA-N
분자식
C4H9NO3
평균 분자량
119.12 g/mol
단동위원소 질량
119.05824315

개요

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.

이름 및 식별자

우선 이름
2-Amino-3-hydroxybutanoic acid
IUPAC
2-amino-3-hydroxybutanoic acid
영어명
2-Amino-3-hydroxybutanoic acid
분자식
C4H9NO3
분자량
119.12

이름 및 동의어

2-amino-3-hydroxybutanoic acidCHEBI:38263DTXSID301015364RefChem:463904DTXCID40210085DL-Threonine80-68-27004-04-8Allo-DL-threonineDL-allo-Threonine144-98-9DL-2-Amino-3-hydroxybutanoic acid
이름 더 보기
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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
-2.9
극성 표면적
83.6 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
4
회전 가능 결합 수
2
무거운 원자 수
8

실험 및 물리화학적 성질

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

Sparingly soluble in water; Soluble in buffer systems pH 5.5

Practically insoluble (in ethanol)

Physical Description · 2건

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

White crystalline powder; slight savoury aroma

물리화학적 성질

끓는 점
345.803 · 345.803±32.00 °C(Press: 760.00 Torr)(predicted)
밀도
1.307 · 1.307±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
저장 조건
Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa)
2.186 · 2.186±0.10(predicted)

안전 및 규제

GHS 분류

GHS Classification · 3건

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.

유해성 정보

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

독성 정보

Toxicity Summary · 1건

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).

안전 데이터

신호 어
Warning
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

약리 정보

Metabolism/MetabolitesHepatic

용도 및 제조

Uses · 2건

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

상·하류 제품 정보

공급사11 곳

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]

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