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L-Cysteic Acid

CAT: 0024-sc-485621Size: 1 gDry Ice: NoHazardous: No
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CAS Number
498-40-8

Chemical Information

L-Cysteic acid

L-cysteic acid is the L-enantiomer of cysteic acid. It has a role as an Escherichia coli metabolite and a human metabolite. It is a cysteic acid, an amino sulfonic acid, a non-proteinogenic L-alpha-amino acid, a L-cysteine derivative and a L-alanine derivative. It is a conjugate acid of a L-cysteate(1-).

CAS Number498-40-8
PubChem CID72886
IUPAC Name(2R)-2-amino-3-sulfopropanoic acid
Molecular FormulaC3H7NO5S
Molecular Weight169.16
XLogP-4.5
Topological Polar Surface Area126
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count10
Formal Charge0
Complexity214
SMILES
C([C@@H](C(=O)O)N)S(=O)(=O)O
InChI
InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1
InChIKey
XVOYSCVBGLVSOL-REOHCLBHSA-N
Chemical Structure
2D Structure
2D structure of L-Cysteic acid
CAS: 498-40-8
CID: 72886
Formula: C3H7NO5S
MW: 169.16
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight169.16
XLogP3-4.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass169.00449350
Monoisotopic Mass169.00449350
Topological Polar Surface Area126 Ų
Heavy Atom Count10
Formal Charge0
Complexity214
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes