N-L-システイニルグリシン

L-Cysteinylglycine

HCID 439498CAS 19246-18-5

部分構造検索類似構造を探す

基本情報

標準SMILES: N[C@@H](CS)C(=O)NCC(=O)O
InChIKey: ZUKPVRWZDMRIEO-VKHMYHEASA-N
分子式: C5H10N2O3S
平均分子量: 178.21 g/mol
単同位体質量: 178.04121336

名称と識別子

優先名称: L-Cysteinylglycine
IUPAC: 2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]acetic acid
現地名: N-L-システイニルグリシン
英語名: Cys-Gly
分子式: C5H10N2O3S
分子量: 178.21

名称と別名

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

名称をさらに表示

N-L-システイニルグリシンN-システイニルグリシンシステイニルグリシン2-[(2R)-2-アミノ-3-スルファニルプロパンアミド]酢酸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

データベース識別子

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

物性

構造計算による物性

XLogP: -3.7
極性表面積: 93.4 Å²
水素結合供与体数: 4
水素結合受容体数: 5
回転可能結合数: 4
重原子数: 11
形式電荷: 0
複雑度: 162

実験および物理化学的性質

Physical DescriptionSolid

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

物理化学的性質

融点: 158 · 158 - 160oC
沸点: 459 · 459.0±45.0 °C(Predicted)
比重(密度): 1.373 · 1.373±0.06 g/cm3(Predicted)
貯蔵温度: -20 °C · -20°C
溶解性: DMSO（微量）、メタノール（微量）、水（微量）
酸解離定数(Pka): 3.02 · 3.02±0.10(Predicted)
外見: 個体
色: ホワイトからオフホワイト
安定性: 空気に敏感
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

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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

安全データ

wgk: 3
rtecs: MB9285800
risk_code: 22-36
hazard_code: Xn
safety_code: 26
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

Tissue LocationsPlacenta

Cellular LocationsCytoplasm；Extracellular

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

応用分野

使用Cys-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).

一般的な説明Cys-Gly, a dipeptide is a catabolic byproduct of glutathione.

サプライヤー50 社

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]

補足説明

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