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150146-94-4 molecular structure
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2-amino-3-sulfanyl(3-13C)propanoic acid

ChemBase ID: 165320
Molecular Formular: C3H7NO2S
Molecular Mass: 122.15083484
Monoisotopic Mass: 122.02310431
SMILES and InChIs

SMILES:
S[13CH2]C(N)C(=O)O
Canonical SMILES:
NC(C(=O)O)[13CH2]S
InChI:
InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/i1+1
InChIKey:
XUJNEKJLAYXESH-OUBTZVSYSA-N

Cite this record

CBID:165320 http://www.chembase.cn/molecule-165320.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-3-sulfanyl(3-13C)propanoic acid
IUPAC Traditional name
2-amino-3-sulfanyl(3-13C)propanoic acid
Synonyms
Cysteine-3-13C
DL-Cysteine-3-13C
(+/-)-Cysteine-3-13C
NSC 63864-3-13C
DL-Cysteine-3-13C
CAS Number
150146-94-4
PubChem SID
162259453
PubChem CID
71315145

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC C995017 external link Add to cart
PubChem 71315145 external link
Data Source Data ID Price
TRC
C995017 external link Add to cart Please log in.
Data Source Data ID
PubChem 71315145 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.3459952  H Acceptors
H Donor LogD (pH = 5.5) -2.7920592 
LogD (pH = 7.4) -2.8006835  Log P -2.7921333 
Molar Refractivity 28.2236 cm3 Polarizability 11.415023 Å3
Polar Surface Area 63.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - C995017 external link
Labelled Cysteine (C995015). Cysteine is a non-essential amino acid that can be synthesized by the human body under normal physiological conditions if a sufficient quantity of methionine is available. Cysteine is commonly used as a precursor in the food a

REFERENCES

REFERENCES

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  • • Hui, N. et al.: Meat Sci. Appl., 74 (2001)
  • • Kiviharju, K. et al.: J. Biotechnol., 117, 299 (2001)
  • • Pecivova, P. et al.: J. Sci. Food Agric., 90, 1681 (2001)
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PATENTS

PATENTS

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INTERNET

INTERNET

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