L-Cysteinylglycine
Grundinformationen
- CAS
19246-18-5- 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
Überblick
L-cysteinylglycine is a dipeptide consisting of glycine having an L-cysteinyl attached to its alpha-amino group. It is an intermediate metabolite in glutathione metabolism. It has a role as a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a human metabolite. It is a tautomer of a L-cysteinylglycine zwitterion.
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
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
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (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
Metabolite Pathways5-oxoprolinase 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).
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.
Zugehörige Reaktionen
2
Notizen zur Verbindung
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