Cysteic Acid - Compound Summary (CID 72886)
Beta-Sulfoalanine. An amino acid with a C-terminal sulfonic acid group which has been isolated from human hair oxidized with permanganate. It occurs normally in the outer part of the sheep's fleece, where the wool is exposed to light and weather.
  Table of Contents
 Drug and Chemical Information: (Total:1)
 Properties Computed from Structure:
| Molecular Weight | 169.15638 [g/mol] | | Molecular Formula | C3H7NO5S | | XLogP3-AA | -4.5 | | H-Bond Donor | 3 | | H-Bond Acceptor | 6 | | Rotatable Bond Count | 3 | | Exact Mass | 169.004493 | | MonoIsotopic Mass | 169.004493 | | Topological Polar Surface Area | 118 | | Heavy Atom Count | 10 | | Formal Charge | 0 | | Complexity | 214 | | Isotope Atom Count | 0 | | Defined Atom StereoCenter Count | 1 | | Undefined Atom StereoCenter Count | 0 | | Defined Bond StereoCenter Count | 0 | | Undefined Bond StereoCenter Count | 0 | | Covalently-Bonded Unit Count | 1 |
Descriptors Computed from Structure:
IUPAC Name: (2R)-2-amino-3-sulfopropanoic acid
Canonical SMILES: C(C(C(=O)O)N)S(=O)(=O)O
Isomeric 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
Compound Information:
 Substance Information:
Substances:
All: 17 Links Same structure: 10 Links Mixture: 7 LinksCategory: [for same structure substances]
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| Compound ID | 72886 |
| | Molecular Weight | 169.15638 [g/mol] |
| | Molecular Formula | C3H7NO5S |
| | XLogP3-AA | -4.5 |
| | H-Bond Donor | 3 |
| | H-Bond Acceptor | 6 |
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Literature
