기본 정보
- 표준 SMILES
C[C@H](O)[C@@H](N)C(=O)O- InChIKey
AYFVYJQAPQTCCC-STHAYSLISA-N- 분자식
- C4H9NO3
- 평균 분자량
- 119.12 g/mol
- 단동위원소 질량
- 119.05824315
개요
D-threonine is an optically active form of threonine having D-configuration. It has a role as a Saccharomyces cerevisiae metabolite. It is a D-alpha-amino acid and a threonine. It is a conjugate base of a D-threoninium. It is a conjugate acid of a D-threoninate. It is an enantiomer of a L-threonine. It is a tautomer of a D-threonine zwitterion.
이름 및 식별자
- 우선 이름
- D-Threonine
- IUPAC
- (2R,3S)-2-amino-3-hydroxybutanoic acid
이름 및 동의어
D-threonine632-20-2(2R,3S)-2-amino-3-hydroxybutanoic acid(R)-ThreonineThreonine, D-D-ThreoninD-2-Amino-3-hydroxybutyric acidSG6FYY47DDEINECS 211-171-8NSC 46702BRN 1721643CHEBI:16398
이름 더 보기
DTXSID708590874-04-00-03171 (Beilstein Handbook Reference)NSC-46702(R)ThreonineThreonine, DRefChem:585113DTXCID801323023211-171-8
데이터베이스 식별자
- CAS
144-98-9、24830-94-2、632-20-2、80-68-2- PubChem CID
- 69435
- DTXSID
DTXSID70859087- ChEMBL
CHEMBL1232386- ChEBI
CHEBI:16398- UNII
- SG6FYY47DD
- EC Number
- 201-300-6、205-645-3、211-171-8、246-488-0
- Nikkaji
- J9.180D
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
- 형식 전하
- 0
- 복잡도
- 93.3
실험 및 물리화학적 성질
Chemical Classes
Biological Agents -> Amino Acids and Derivatives
Biological Agents -> Amino Acids and Derivatives
Physical Description
White crystalline solid; [Sigma-Aldrich MSDS]
Hemihydrate: Solid; [Merck Index] White powder; [Sigma-Aldrich MSDS]
안전 및 규제
GHS 분류
GHS Classification
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.
This chemical does not meet GHS hazard criteria for 5% (1 of 20) of reports.
Warning
H302 (90%): Harmful if swallowed [Warning Acute toxicity, oral]
유해성 정보
Regulatory InformationChemical: DL-Threonine
Other Safety InformationIMAP assessments - DL-Threonine: Environment tier I assessment
Hazards Summary
Causes muscle contraction or spasticity, dyspnea, and decreased body temperature in intraperitoneal lethal-dose studies of rats (LD50 = 5,361 mg/kg); [RTECS] May cause irritation; [Sigma-Aldrich MSDS]
May cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and Categories
Acute Tox. 3 (90%)
Not Classified
Not Classified
화학 및 산업
용도 및 제조
Uses
Threonine is an essential amino acid; [Merck Index]
An essential amino acid; [Merck Index]
관련 반응
73건
연결된 노트
불러오는 중…