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 |
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