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L-(+)-Cystathionine

CAT: 0572-TRC-C989500-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C989500-10MGSize:10 mg
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CAS Number
56-88-2
Synonyms
S-[(2R)-2-Amino-2-carboxyethyl]-L-homocysteine; Cystathionine (6CI,7CI); Cystathionine, L- (8CI); L-Homocysteine, S-(2-amino-2-carboxyethyl)-, (R)-; S-[(2R)-2-Amino-2-carboxyethyl]-L-homocysteine; Butanoic acid, 2-amino-4-[(2-amino-2-carboxyethyl)thio]-, [R-(R*,S*)]-; L-(+)-Cystathionine; L-Cystathionine
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
N[C@@H](CCSC[C@H](N)C(=O)O)C(=O)O
Molecular Formula
C7 H14 N2 O4 S
Molecular Weight
222.26
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
Additionnal Information
IUPAC name: (2S)-2-amino-4-[(2R)-2-amino-2-carboxyethyl]sulfanylbutanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

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 Number56-88-2
PubChem CID439258
IUPAC Name(2S)-2-amino-4-[(2R)-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(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
2D structure of L-Cystathionine
CAS: 56-88-2
CID: 439258
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 Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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MBS3614789-01L-Cystathionine
MBS6041055-01L-(+)-Cystathionine
OR9895T-01L- (+) -Cystathionine
HY-W009749RL-Cystathionine (Standard)
FC20766D, L-Cystathionine
OR1035845L-Cystathionine (dihydrochloride)
HY-W009749CR-01L-Cystathionine (dihydrochloride) (Standard)
sc-500570D, L-Cystathionine-d4
MBS5766438D,L-Cystathionine dihydrochloride
sc-326764Di-Boc-L-cystathionine

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