L- (+) -Cystathionine

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CAS Number

56-88-2

Synonyms

S-[ (2R) -2-Amino-2-carboxyethyl]-L-homocysteine; [R- (R*, S*) ]-2-Amino-4-[ (2-amino-2-carboxyethyl) thio]butanoic acid

MDL Number

MFCD00036685

Smiles

C (CSC[C@@H] (C (=O) O) N) [C@@H] (C (=O) O) N

Molecular Formula

C7H14N2O4S

Molecular Weight

222.26 g/mol

Controlled

Chemical Information

L-Cystathionine

L-cystathionine is a modified amino acid generated by enzymic means from L-homocysteine and L-serine. It has a role as a mouse metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a human metabolite. It is a tautomer of a L-cystathionine dizwitterion.

CAS Number	56-88-2
PubChem CID	439258
IUPAC Name	(2S)-2-amino-4-[(2R)-2-amino-2-carboxyethyl]sulfanylbutanoic acid
Molecular Formula	C7H14N2O4S
Molecular Weight	222.26
XLogP	-6
Topological Polar Surface Area	152
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	14
Formal Charge	0
Complexity	212

SMILES

C(CSC[C@@H](C(=O)O)N)[C@@H](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)/t4-,5-/m0/s1

InChIKey

ILRYLPWNYFXEMH-WHFBIAKZSA-N

Chemical Structure

2D Structure

CAS: 56-88-2

CID: 439258

Formula: C7H14N2O4S

MW: 222.26

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	222.26
XLogP3	-6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	222.06742811
Monoisotopic Mass	222.06742811
Topological Polar Surface Area	152 Å²
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

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MBS3614789-01	L-Cystathionine
MBS6041055-01	L-(+)-Cystathionine
OR9895T-01	L- (+) -Cystathionine
GTR19063739-01	Cystathionine-β-synthase
GTR19267324-01	Cystathionine γ-lyase
OR1035476	DL-Cystathionine
GTR19231133-01	Cystathionine β-lyase
HH4101-02	Cystathionine-β-lyase
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L- (+) -Cystathionine

Chemical Information

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