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DL-Homocysteic acid

CAT: 0013-GTR19216021Size: 20 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19216021Size:20 mg
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Description
DL-Homocysteic acid (CAS 504-33-6) is a research chemical widely used as a potent excitatory amino acid agonist in neuroscience. It is employed in both in vitro and in vivo studies to investigate glutamatergic neurotransmission, excitotoxicity, and models of neurological disorders.
CAS Number
504-33-6
Field of Research
Metabolism Research
Smiles
NC (CCS (O) (=O) =O) C (O) =O
Molecular Formula
C4H9NO5S
Molecular Weight
183.18
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Homocysteic acid

Homocysteic acid is a non-proteinogenic alpha-amino acid that is homocysteine in which the thiol group has benn oxidised to the corresponding sulfonic acid. It is an amino sulfonic acid, a carboxyalkanesulfonic acid and a non-proteinogenic alpha-amino acid. It is functionally related to a homocysteine.

CAS Number504-33-6
PubChem CID92117
IUPAC Name2-amino-4-sulfobutanoic acid
Molecular FormulaC4H9NO5S
Molecular Weight183.19
XLogP-3.6
Topological Polar Surface Area126
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count11
Formal Charge0
Complexity227
SMILES
C(CS(=O)(=O)O)C(C(=O)O)N
InChI
InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)
InChIKey
VBOQYPQEPHKASR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Homocysteic acid
CAS: 504-33-6
CID: 92117
Formula: C4H9NO5S
MW: 183.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight183.19
XLogP3-3.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass183.02014356
Monoisotopic Mass183.02014356
Topological Polar Surface Area126 Ų
Heavy Atom Count11
Formal Charge0
Complexity227
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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