535-34-2
Product Name:
CYSTATHIONINE
Formula:
C7H14N2O4S
Synonyms:
DL,DL -allo-Cystathionine;S-(2-Amino-2-carboxyethyl)homocysteine
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid; [Merck Index] White powder; [Sigma-Aldrich MSDS] |
|---|---|
| Collision Cross Section | 147.3 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)] |
| Chemical Classes | Biological Agents -> Amino Acids and Derivatives |
COMPUTED DESCRIPTORS
| Molecular Weight | 222.26 g/mol |
|---|---|
| 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 | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Cystathionine is a modified amino acid generated by enzymic means from homocysteine and serine. It has a role as a metabolite. It is a member of cystathionines and an organic sulfide.