Grundinformationen
- Standard-SMILES
N[C@@H](CS)C(=O)NCC(=O)O- InChIKey
ZUKPVRWZDMRIEO-VKHMYHEASA-N- Summenformel
- C5H10N2O3S
- Durchschnittliche Molmasse
- 178,21 g/mol
- Monoisotopische Masse
- 178,04121336
Namen und Bezeichner
- Bevorzugter Name
- L-Cysteinylglycine
- IUPAC
- 2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]acetic acid
- Englischer Name
- Cys-Gly
- Summenformel
- C5H10N2O3S
- Molmasse
- 178.21
Namen und Synonyme
Cysteinylglycine19246-18-5L-CysteinylglycineCys-GlyL-Cysteinyl-glycineN-L-cysteinylglycinecysteinyl-glycineGlycine, N-L-cysteinyl-QUINTESCINEDTXSID108648772-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]acetic acid384644SZ9T
Weitere Namen anzeigen
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
Datenbank-Bezeichner
- CAS
19246-18-5- PubChem CID
- 439498
- DTXSID
DTXSID10864877- ChEMBL
CHEMBL371579- ChEBI
CHEBI:4047- UNII
- 384644SZ9T
- EC Number
- 633-715-7
- Nikkaji
- J36.789C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -3,7
- Polarare Oberfläche (TPSA)
- 93,4 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 162
Experimentelle und physikochemische Eigenschaften
Physical DescriptionSolid
Collision Cross Section131.77 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
Physikochemische Eigenschaften
- Schmelzpunkt
- 158 · 158 - 160oC
- Siedepunkt
- 459 · 459.0±45.0 °C(Predicted)
- Dichte
- 1.373 · 1.373±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly), Water (Slightly)
- pka
- 3.02 · 3.02±0.10(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
- Stabilität
- Air Sensitive
- 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
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
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.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Eye Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- RTECS-Nr.
- MB9285800
- risk_code
- 22-36
- hazard_code
- Xn
- safety_code
- 26
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
Chemie und Industrie
Pharmakologische Informationen
Tissue LocationsPlacenta
Cellular LocationsCytoplasm；Extracellular
Metabolite Pathways5-oxoprolinase deficiency；5-Oxoprolinuria；Gamma-glutamyl-transpeptidase deficiency；Gamma-Glutamyltransferase Deficiency；Glutathione metabolism；Glutathione Synthetase Deficiency
Anwendungen
VerwendenCys-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).
Anbieter50 Anbieter
苏州道澜生物医药科技有限公司15952404857 · [email protected]
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Ergänzende Hinweise
DefinitionChEBI: A dipeptide consisting of glycine having an L-cysteinyl attached to its alpha-amino group. It is an intermediate metabolite in glutathione metabolism.
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