L-Cysteinylglycine

HCID 439498CAS 19246-18-5

기본 정보

표준 SMILES: N[C@@H](CS)C(=O)NCC(=O)O
InChIKey: ZUKPVRWZDMRIEO-VKHMYHEASA-N
분자식: C5H10N2O3S
평균 분자량: 178.21 g/mol
단동위원소 질량: 178.04121336

이름 및 식별자

우선 이름: L-Cysteinylglycine
IUPAC: 2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]acetic acid
영어명: Cys-Gly
분자식: C5H10N2O3S
분자량: 178.21

이름 및 동의어

Cysteinylglycine19246-18-5L-CysteinylglycineCys-GlyL-Cysteinyl-glycineN-L-cysteinylglycinecysteinyl-glycineGlycine, N-L-cysteinyl-QUINTESCINEDTXSID108648772-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]acetic acid384644SZ9T

이름 더 보기

Gly-CysL-CYSTEINYL GLYCINECys-Gly-OHH-CYS-GLY-OHL-Cys-Gly-OHCYS-GLY USP/EP/BPN-Cysteinylglycineglycine,n-cysteinyl

2-[(2R)-2-amino-3-sulfanylpropanamido]acetic acidCHEBI:40472-((2R)-2-amino-3-sulfanylpropanamido)acetic acid2-(((2R)-2-amino-3-sulfanylpropanoyl)amino)acetic acid2-(((2R)-2-azaniumyl-3-sulfanylpropanoyl)amino)acetate2-[[(2R)-2-azaniumyl-3-sulfanylpropanoyl]amino]acetateRefChem:581400DTXCID901333734

데이터베이스 식별자

CAS: 19246-18-5
PubChem CID: 439498
DTXSID: DTXSID10864877
ChEMBL: CHEMBL371579
ChEBI: CHEBI:4047
UNII: 384644SZ9T
EC Number: 633-715-7
Nikkaji: J36.789C

물성

구조 계산 물성

XLogP: -3.7
극성 표면적: 93.4 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 11
형식 전하: 0
복잡도: 162

실험 및 물리화학적 성질

Physical DescriptionSolid

Collision Cross Section131.77 Å² [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

물리화학적 성질

녹는점: 158 · 158 - 160oC
끓는 점: 459 · 459.0±45.0 °C(Predicted)
밀도: 1.373 · 1.373±0.06 g/cm3(Predicted)
저장 조건: -20 °C · -20°C
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨), 물(약간 용해됨)
산도 계수 (pKa): 3.02 · 3.02±0.10(Predicted)
물리적 상태: 고체
색상: 흰색에서 황백색까지
안정성: 공기에 민감한
InChI: 1S/C5H10N2O3S/c6-3(2-11)5(10)7-1-4(8)9/h3,11H,1-2,6H2,(H,7,10)(H,8,9)
InChIKey: ZUKPVRWZDMRIEO-UHFFFAOYSA-N
SMILES: NC(CS)C(=O)NCC(O)=O

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Eye Irrit. 2 (100%)

안전 데이터

wgk: 3
rtecs: MB9285800
risk_code: 22-36
hazard_code: Xn
safety_code: 26
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

Tissue LocationsPlacenta

Cellular LocationsCytoplasm；Extracellular

Metabolite Pathways5-oxoprolinase deficiency；5-Oxoprolinuria；Gamma-glutamyl-transpeptidase deficiency；Gamma-Glutamyltransferase Deficiency；Glutathione metabolism；Glutathione Synthetase Deficiency

응용 분야

용도Cys-Gly has been used for derivatization by p-hydroxymercury benzoate (PHMB) for calibration of reversed phase chromatography coupled on-line and sequentially with a UVvisible diode array detector (RPLC-DAD).

일반 설명Cys-Gly, a dipeptide is a catabolic byproduct of glutathione.

공급사50 곳

苏州道澜生物医药科技有限公司15952404857 · [email protected]

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

济南百隆化学有限公司[email protected] · [email protected]

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

艾吉析科技（上海）有限公司17717235263 · [email protected]

추가 설명

정의ChEBI: A dipeptide consisting of glycine having an L-cysteinyl attached to its alpha-amino group. It is an intermediate metabolite in glutathione metabolism.

연결된 노트

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