CYSTEIC ACID
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CYSTEIC ACID
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CAS No:
13100-82-8
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Formula:
C3H7NO5S
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Chemical Name:
CYSTEIC ACID
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Synonyms:
2-Amino-3-sulfopropionic acid;α-Amino-β-sulfopropionic acid;3-Sulfoalanine;DL-Alanine, 3-sulfo-;Alanine, 3-sulfo-;cysteicaci;CYSTEIC ACID USP/EP/BP
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CAS No:
Description
ChEBI: An amino sulfonic acid that is the sulfonic acid analogue of cysteine.
Solid
Cysteic acid is an amino sulfonic acid that is the sulfonic acid analogue of cysteine. It has a role as an animal metabolite. It is an alanine derivative, an amino sulfonic acid, a carboxyalkanesulfonic acid, a cysteine derivative and a non-proteinogenic alpha-amino acid.|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.
Likely impurities are cystine and oxides of cysteine. Crystallise the acid from water by adding 2 volumes of EtOH. It crystallises from H2O as the monohydrate. When recrystallised from aqueous MeOH it has m 264-266o, and the anhydrous acid has m ~260o(dec). [Chapeville & Formageot Biochim Biophys Acta 26 538 1957, Gortner & Hoffman J Biol Chem 72 435 1927, Greenstein & Winitz The Chemistry of the Amino Acids J. Wiley, Vol 3 p1908 1961.]
Characteristics
126
0.06720
1.433 (estimate)
1.5130 (estimate)
0.68±0.50(Predicted)
140.2 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|148.2 Ų [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|123 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|131.4 Ų [M+Na-2H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
Keep in dark place,Inert atmosphere,Room temperature
Safety Information
IRRITANT
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:169.16
XLogP3:-4.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:169.00449350
Monoisotopic Mass:169.00449350
Topological Polar Surface Area:126
Heavy Atom Count:10
Complexity:214
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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