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D, L-Cystathionine

CAT: 0926-FC20766Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-FC20766Size:25 mg
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CAS Number
535-34-2
Synonyms
S- (2-Amino-2-carboxyethyl) homocysteine; DL-Allocystathionine
MDL Number
MFCD00136759
Smiles
C (CSCC (C (=O) O) N) C (C (=O) O) N
Molecular Formula
C7H14N2O4S
Molecular Weight
222.26 g/mol
Controlled
No

Chemical Information

Cystathionine

Cystathionine is a modified amino acid generated by enzymic means from homocysteine and serine. It has a role as a metabolite. It is an organic sulfide and a member of cystathionines.

CAS Number535-34-2
PubChem CID834
IUPAC Name2-amino-4-(2-amino-2-carboxyethyl)sulfanylbutanoic acid
Molecular FormulaC7H14N2O4S
Molecular Weight222.26
XLogP-6
Topological Polar Surface Area152
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count14
Formal Charge0
Complexity212
SMILES
C(CSCC(C(=O)O)N)C(C(=O)O)N
InChI
InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)
InChIKey
ILRYLPWNYFXEMH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cystathionine
CAS: 535-34-2
CID: 834
Formula: C7H14N2O4S
MW: 222.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight222.26
XLogP3-6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass222.06742811
Monoisotopic Mass222.06742811
Topological Polar Surface Area152 Ų
Heavy Atom Count14
Formal Charge0
Complexity212
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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