56-88-2
Product Name:
L-CYSTATHIONINE
Formula:
C7H14N2O4S
Synonyms:
(R)-S-(2-Amino-2-carboxyethyl)-L -homocysteine
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CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid; [Merck Index] White powder; [Sigma-Aldrich MSDS] |
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Melting Point | 312 °C |
Solubility | 22 mg/mL |
Collision Cross Section | 147 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
Chemical Classes | Biological Agents -> Amino Acids and Derivatives |
SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
Molecular Weight | 222.26 g/mol |
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XLogP3 | -6 |
Hydrogen Bond Donor Count | 4 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 7 |
Exact Mass | 222.06742811 g/mol |
Monoisotopic Mass | 222.06742811 g/mol |
Topological Polar Surface Area | 152 Ų |
Heavy Atom Count | 14 |
Formal Charge | 0 |
Complexity | 212 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 2 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
L-cystathionine is a modified amino acid generated by enzymic means from L-homocysteine and L-serine. It has a role as a human metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a tautomer of a L-cystathionine dizwitterion.