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Lanthionine (DL- and meso- mixture) - 95%, high purity , CAS No.922-55-4
Basic Description
Synonyms
(2R)-2-azanyl-3-[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-propanoic acid | Alanine, 3,3'-thiodi-, DL- | CHEBI:21347 | JO78O46X3K | NSC-83248 | EINECS 213-076-7 | 85F | LANTHIONINE, L- | HY-135113 | LANTHIONINE [MI] | Loxoprofen sodium hydr
Specifications & Purity
≥95%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives - Alpha amino acids and derivatives - Cysteine and derivatives
Direct Parent
L-cysteine-S-conjugates
Alternative Parents
L-alpha-amino acids Dicarboxylic acids and derivatives Amino acids Sulfenyl compounds Dialkylthioethers Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
L-cysteine-s-conjugate - Alpha-amino acid - L-alpha-amino acid - Dicarboxylic acid or derivatives - Amino acid - Carboxylic acid - Thioether - Sulfenyl compound - Dialkylthioether - Amine - Organic nitrogen compound - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as l-cysteine-s-conjugates. These are compounds containing L-cysteine where the thio-group is conjugated.
External Descriptors
non-proteinogenic L-alpha-amino acid - L-alanine derivative - lanthionine
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
Pubchem Sid
488187127
IUPAC Name
(2R)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]sulfanylpropanoic acid
INCHI
InChI=1S/C6H12N2O4S/c7-3(5(9)10)1-13-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1
InChIKey
DWPCPZJAHOETAG-IMJSIDKUSA-N
Smiles
C(C(C(=O)O)N)SCC(C(=O)O)N
Isomeric SMILES
C([C@@H](C(=O)O)N)SC[C@@H](C(=O)O)N
Alternate CAS
496-98-0
Molecular Weight
208.23
Beilstein
4(3)1620
Reaxy-Rn
2051012
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2051012&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
208.240 g/mol
XLogP3
-6.300
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
6
Exact Mass
208.052 Da
Monoisotopic Mass
208.052 Da
Topological Polar Surface Area
152.000 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
179.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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