기본 정보
- CAS
56-88-2- 표준 SMILES
N[C@@H](CCSC[C@H](N)C(=O)O)C(=O)O- InChIKey
ILRYLPWNYFXEMH-WHFBIAKZSA-N- 분자식
- C7H14N2O4S
- 평균 분자량
- 222.26 g/mol
- 단동위원소 질량
- 222.06742811
개요
L-cystathionine is a modified amino acid generated by enzymic means from L-homocysteine and L-serine. It has a role as a mouse metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a human metabolite. It is a tautomer of a L-cystathionine dizwitterion.
이름 및 식별자
- 우선 이름
- L-Cystathionine
- IUPAC
- (2S)-2-amino-4-[(2R)-2-amino-2-carboxyethyl]sulfanylbutanoic acid
- 현지명
- L-시스타티오닌
- 영어명
- L-Cystathionine
- 분자식
- C7H14N2O4S
- 분자량
- 222.26
이름 및 동의어
L-cystathionine56-88-2L-(+)-CystathionineCystathionine, L-(2S)-2-amino-4-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanoic acid375YFJ481OCHEBI:17482(2S)-2-amino-4-[(2R)-2-amino-2-carboxyethyl]sulfanylbutanoic acidButanoic acid, 2-amino-4-((2-amino-2-carboxyethyl)thio)-, (R-(R*,S*))-(2S)-2-amino-4-((2R)-2-amino-2-carboxyethyl)sulfanylbutanoic acid(2S)-2-amino-4-(((2R)-2-amino-2-carboxyethyl)sulfanyl)butanoic acidButanoic acid, 2-amino-4-[(2-amino-2-carboxyethyl)thio]-, [R-(R*,S*)]-
이름 더 보기
L-시스타티오닌L(+)CYSTATHIONINEL-Cystathionine (P)L-Cystathionine StandardL-CYSTATHIONINE, >= 98% (TLC)CYSTATHIONINE, L-(DS)(REQUEST QUOTE)(2R,7S)-2,7-Diamino-4-thiaoctanedioic acid[R]-S-[2-AMINO-2-CARBOXYETHYL]-L-HOMOCYSTEINE
(2S)-2-azaniumyl-4-((2R)-2-azaniumyl-2-carboxylatoethyl)sulfanylbutanoateRefChem:1088149200-295-8(R)-S-(2-Amino-2-carboxyethyl)-L-homocysteineS-[(2R)-2-amino-2-carboxyethyl]-L-HomocysteineCystathionine, L- (8CI)L-Homocysteine, S-(2-amino-2-carboxyethyl)-, (R)-(2S)-2-amino-4-[(2R)-2-amino-3-hydroxy-3-oxopropyl]sulfanylbutanoic acid
물성
구조 계산 물성
- XLogP
- -6
- 극성 표면적
- 152 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 212
실험 및 물리화학적 성질
Chemical ClassesBiological Agents -> Amino Acids and Derivatives
Solubility22 mg/mL
Melting Point312 °C
Physical Description
Solid; [Merck Index] White powder; [Sigma-Aldrich MSDS]
Solid
Collision Cross Section
147 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
144.41 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
142.1 Ų [M-H]-
물리화학적 성질
- 녹는점
- 312 · 312
- 밀도
- 1.43 · 1.430±0.06 g/cm3 (20 ºC 760 Torr)
- 저장 조건
- -20 °C · -20°C
- 용해도
- 산성 용액(약간 용해됨)
- 물리적 상태
- 고체
- 끓는 점
- 481 · 481.0±45.0 °C(Predicted)
- 산도 계수 (pKa)
- 2.08 · 2.08±0.10(Predicted)
- 색상
- 흰색에서 황백색까지
- Merck
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 29309090
- F 고인화성물질
- 10-21
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Tissue LocationsBrain
Cellular LocationsCytoplasm
Metabolite Pathways3-Phosphoglycerate dehydrogenase deficiency
용도 및 제조
UsesAmino acid; [Merck Index]
응용 분야
개요L-(+)-Cystathionine is a dipeptide formed by serine and homocysteine. Transsulfuration of methionine yields homocysteine, which combines with serine to form this precursor of cysteine. L-(+)-Cystathionine is largely expressed in the mammalian brain and deficiency can indicate the presence of metabolic disorders such as cystathioninuria.
용도L-Cystathionine has been used in ultra-performance liquid chromatography for the validation of cystathionine and the correlation of its abundance with vertebrate metamorphosis. It has also been used as an inhibitor of sinusoidal GSH (glutathione) carrier to signify that thiol redox state imbalance is associated with the modulation of autophagy in carcinoma cells.
상·하류 제품 정보
상류 원료
공급사77 곳
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
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