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L-Cysteic acid

PubChem CID: 72886

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Compound Synonyms L-Cysteic acid, 498-40-8, Cysteinesulfonic acid, Cysteic acid, L-, L-Alanine, 3-sulfo-, (R)-2-Amino-3-sulfopropanoic acid, (2R)-2-amino-3-sulfopropanoic acid, 3-sulfo-L-alanine, Cysteic Acid, Cysteic acid (VAN), Cysteric acid, Alanine, 3-sulfo-, L-, Cysteinic acid, Cepteic acid, Cipteic acid, sulfo-D-alanine, UNII-M6W2DJ6N5K, Alanine, 3-sulfo-, 2-Amino-3-sulfopropionic acid, EINECS 207-861-3, M6W2DJ6N5K, L-Cysteate, L-CYSTEIC ACID [MI], CYSTEIC ACID, (+)-, DTXSID7075424, CHEBI:17285, alpha-amino-beta-sulfopropionic acid, NSC-254030, (2R)-2-amino-3-sulfo-propanoic acid, (2R)-2-azanyl-3-sulfo-propanoic acid, (R)-cysteate, MFCD00007524, Cepteate, Cipteate, Cysterate, Cysteinesulfonate, Cysteic acid, L-3-sulfo-alanine, H-Cys(O)2-OH.H2O, cysteine sulfonic acid, NSC 254030, C3H7NO5S, OCS, 3-Sulfoalanine, (L)-, CYSTEIC ACID [MI], UNII-A3OGP4C37W, b-Sulphoalanine, betaSulfoalanine, 3Sulfoalanine, b-Sulfoalanine, 3 Sulfoalanine, beta Sulfoalanine, Acid, Cysteic, Alanine, 3sulfo, beta-Sulphoalanine, L-3-Sulfoalanine, CYSTEINEsulphonate, (R)-Cysteic acid, 3-SulphO-L-alanine, cysteine sulphonic acid, CYSTEINEsulphonic acid, bmse000380, L-Cysteic acid (Standard), 2-Amino-3-sulphopropionate, CYSTEIC ACID [INCI], SCHEMBL44031, L-Alanine, 3-sulfo-(9CI), 2-amino-3-sulphopropionic acid, alphaAminobetasulfopropionic acid, DTXCID6040741, L-Alanine, 3-sulfo- (9CI), (2R)-2-Amino-3-sulfopropanoate, (2R)-2-Amino-3-sulphopropanoate, Alanine, 3-sulfo-, L- (8CI), (2R)-2-Amino-3-sulphopropanoic acid, AKOS006281833, AKOS015854116, (2R)-2-amino-3-sulfo-propionic acid, DB03661, HY-124009R, DS-12037, FC167998, DB-294486, CS-0083859, NS00014864, C00506, D81957, EN300-302681, Q29743881
Topological Polar Surface Area 126.0
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 10.0
Description Cysteinesulfonic acid, also known as (2r)-2-amino-3-sulfopropanoic acid or 3-sulfoalanine, is a member of the class of compounds known as L-alpha-amino acids. L-alpha-amino acids are alpha amino acids which have the L-configuration of the alpha-carbon atom. Cysteinesulfonic acid is soluble (in water) and an extremely strong acidic compound (based on its pKa). Cysteinesulfonic acid can be found in a number of food items such as roman camomile, pili nut, chicory, and garden tomato, which makes cysteinesulfonic acid a potential biomarker for the consumption of these food products.
Isotope Atom Count 0.0
Molecular Complexity 214.0
Database Name cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Iupac Name (2R)-2-amino-3-sulfopropanoic acid
Prediction Hob 1.0
Xlogp -4.5
Molecular Formula C3H7NO5S
Prediction Swissadme 0.0
Inchi Key XVOYSCVBGLVSOL-REOHCLBHSA-N
Fcsp3 0.6666666666666666
Logs -1.13
Rotatable Bond Count 3.0
Logd -1.931
Compound Name L-Cysteic acid
Prediction Hob Swissadme 0.0
Exact Mass 169.004
Formal Charge 0.0
Monoisotopic Mass 169.004
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 169.16
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol 2.131620400000001
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
Smiles C([C@@H](C(=O)O)N)S(=O)(=O)O
Nring 0.0
Defined Bond Stereocenter Count 0.0