L-Homocystine

HCID 439579

기본 정보

CAS: 626-72-2
표준 SMILES: N[C@@H](CCSSCC[C@H](N)C(=O)O)C(=O)O
InChIKey: ZTVZLYBCZNMWCF-WDSKDSINSA-N
분자식: C8H16N2O4S2
평균 분자량: 268.4 g/mol
단동위원소 질량: 268.05514934

개요

L,L-homocystine is a homocystine in which both chiral centres have L configuration. It is functionally related to a L-homocysteine. It is a tautomer of a L,L-homocystine zwitterion.

이름 및 식별자

우선 이름: L-Homocystine
IUPAC: (2S)-2-amino-4-[[(3S)-3-amino-3-carboxypropyl]disulfanyl]butanoic acid
영어명: L-Homocystine
분자식: C8H16N2O4S2
분자량: 268.35

이름 및 동의어

L-Homocystine626-72-2Homocystine, L-804AS222UEEINECS 210-962-5L-HOMOCYSTINE [MI]HOMOCYSTINE, (+)-Butanoic acid, 4,4'-dithiobis(2-amino-, (2S,2'S)-2-amino-4-{[(3S)-3-amino-3-carboxypropyl]disulfanyl}butanoic acidDTXSID001019905[S-(R*,R*)]-4,4'-dithiobis[2-aminobutyric] acid(S-(R*,R*))-4,4'-Dithiobis(2-aminobutyric) acid

이름 더 보기

H-HoCys-OH(2S,2'S)-4,4'-Disulfanediylbis(2-aMinobutanoic acid)(H-HCY-OH)2(H-Hcy-OH)?H-L-HCystine(H-HOCYS-OH)2H-L-HOCYSTINE(H-Hcys-OH) 2(H-HOMOCYS-OH)2

BUTYRIC ACID, 4,4'-DITHIOBIS(2-AMINO-, L-Butanoic acid, 4,4'-dithiobis[2-amino-, (2S,2'S)-Butanoic acid, 4,4'-dithiobis[2-amino-, [S-(R*,R*)]-BUTANOIC ACID, 4,4'-DITHIOBIS(2-AMINO-, (S-(R*,R*))-2-amino-4-(((3S)-3-amino-3-carboxypropyl)disulfanyl)butanoic acidRefChem:796776DTXCID801477767210-962-5

데이터베이스 식별자

CAS: 626-72-2、870-93-9
PubChem CID: 439579
DTXSID: DTXSID101014691
ChEBI: CHEBI:141698
UNII: 804AS222UE
EC Number: 210-962-5
Nikkaji: J232.193I

물성

구조 계산 물성

XLogP: -5.6
극성 표면적: 177 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 8
회전 가능 결합 수: 9
무거운 원자 수: 16
형식 전하: 0
복잡도: 216

물리화학적 성질

녹는점: 281 · 281-284 °C (dec.)(lit.)
끓는 점: 507.6 · 507.6±50.0 °C(Predicted)
밀도: 1.443 · 1.443±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 2 O · H2O : 5 mg/mL (18.63 mM; ultrasonic and adjust pH to 3 with H2O)DMSO : 1 mg/mL (3.73 mM; ultrasonic and adjust pH to 5 with HCl)
물리적 상태: 가루
산도 계수 (pKa): 1.9 · 1.90±0.10(Predicted)
색상: Off-white to light yellow
BRN: 1728583 · 1728583
주요 응용: 세포 분석펩타이드 합성
InChI: InChI=1S/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)/t5-,6-/m0/s1
InChIKey: ZTVZLYBCZNMWCF-WDSKDSINSA-N
SMILES: S(CC[C@H](N)C(O)=O)SCC[C@H](N)C(O)=O
EPA: L-Homocystine (626-72-2)

화학적 성질 · 1건

L-homocysteine is an aliphatic amino acid with the molecular formula (C8H16N2O4S2). It is a white powder with an acidic taste and is easily soluble in water. It has limited solubility in ethanol. L-homocysteine has a sulfhydryl group on its side chain, which allows it to form disulfide bonds with other L-homocysteine residues in proteins. This feature contributes to the stable three-dimensional structure of proteins. As a result, L-homocysteine finds extensive applications in industries such as pharmaceuticals, food, feed, and cosmetics.

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.

Not Classified

Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesNot Classified

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29309090
safety_code: 22-24/25
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationButanoic acid, 4,4'-dithiobis[2-amino-, (2S,2'S)-: ACTIVE

응용 분야

용도Increased levels lead to hyperhomocysteinemia; a cardiovascular risk factor in prediction of coronary heart disease as well as being associated with congenital birth defects, pregnancy complications and cancer.

상·하류 제품 정보

상류 원료

공급사101 곳

北京华美互利生物化工010-56205725 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]

盐城通铭生物科技有限公司15195160625 · [email protected]

화합물 노트

불러오는 중…

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 626-72-2
표준 SMILES: N[C@@H](CCSSCC[C@H](N)C(=O)O)C(=O)O
InChIKey: ZTVZLYBCZNMWCF-WDSKDSINSA-N
분자식: C8H16N2O4S2
평균 분자량: 268.4 g/mol
단동위원소 질량: 268.05514934

개요

L,L-homocystine is a homocystine in which both chiral centres have L configuration. It is functionally related to a L-homocysteine. It is a tautomer of a L,L-homocystine zwitterion.