ChemFOnt: Showing chemical card for L-cysteine Hydrochloride (CFc000043211)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 19:46:10 UTC

Chemfont ID

CFc000043211

Molecule Identification

Common Name

L-cysteine Hydrochloride

Definition

L-cysteine Hydrochloride, also known as L-CYSTEINE or Cysteine HCL (anhydrous), is classified as a cysteine or a Cysteine derivative. Cysteines are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. L-cysteine Hydrochloride is considered to be soluble (in water) and acidic

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
(R)-Cysteine hydrochloride	ChEBI
Cysteine HCL (anhydrous)	ChEBI
Cysteine hydrochloride (anhydrous)	ChEBI
Cysteine monohydrochloride	ChEBI
L-(+)-Cysteine hydrochloride	ChEBI
L-Cysteine monohydrochloride	ChEBI
L-Cysteinium chloride	ChEBI
(2R)-2-amino-3-Sulfanylpropanoate;hydrochloride	Generator
(2R)-2-amino-3-Sulphanylpropanoate;hydrochloride	Generator
(2R)-2-amino-3-Sulphanylpropanoic acid;hydrochloride	Generator
L-Cysteine	MeSH
Half cystine	MeSH
Cysteine hydrochloride	MeSH
Half-cystine	MeSH
Cysteine	MeSH
Zinc cysteinate	MeSH
L Cysteine	MeSH

Chemical Formula

C₃H₈ClNO₂S

Average Molecular Weight

157.61

Monoisotopic Molecular Weight

156.9964274

IUPAC Name

(2R)-2-amino-3-sulfanylpropanoic acid hydrochloride

Traditional Name

L-cysteine hydrochloride

CAS Registry Number

52-89-1

SMILES

Cl.[H][C@](N)(CS)C(O)=O

InChI Identifier

InChI=1S/C3H7NO2S.ClH/c4-2(1-7)3(5)6;/h2,7H,1,4H2,(H,5,6);1H/t2-;/m0./s1

InChI Key

IFQSXNOEEPCSLW-DKWTVANSSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cysteine and derivatives. Cysteine and derivatives are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Cysteine and derivatives

Alternative Parents

Substituents

Cysteine or derivatives
Alpha-amino acid
L-alpha-amino acid
Amino acid
Alkylthiol
Carboxylic acid
Monocarboxylic acid or derivatives
Organic oxygen compound
Hydrochloride
Primary amine
Organosulfur compound
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Primary aliphatic amine
Carbonyl group
Amine
Hydrocarbon derivative
Organopnictogen compound
Organic oxide
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Functional Ontology

Physiological effect

Organoleptic effect

Odor

Odorless

Disposition

Source

Exogenous

Exogenous (HMDB: HMDB0062799)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	23.1 g/L	ALOGPS
logP	-2.6	ALOGPS
logP	-2.8	ChemAxon
logS	-0.72	ALOGPS
pKa (Strongest Acidic)	2.35	ChemAxon
pKa (Strongest Basic)	9.05	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	63.32 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	28.22 m³·mol⁻¹	ChemAxon
Polarizability	11.41 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0062799

DrugBank ID

DBSALT001754

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Cysteine

METLIN ID

Not Available

PubChem Compound

60960

PDB ID

Not Available

ChEBI ID

91247

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for L-cysteine Hydrochloride (CFc000043211)

MOL for CFc000043211 (L-cysteine Hydrochloride)

3D MOL for CFc000043211 (L-cysteine Hydrochloride)

3D SDF for CFc000043211 (L-cysteine Hydrochloride)

3D-SDF for CFc000043211 (L-cysteine Hydrochloride)

PDB for CFc000043211 (L-cysteine Hydrochloride)

3D PDB for CFc000043211 (L-cysteine Hydrochloride)

SMILES for CFc000043211 (L-cysteine Hydrochloride)

INCHI for CFc000043211 (L-cysteine Hydrochloride)

Structure for CFc000043211 (L-cysteine Hydrochloride)

3D Structure for CFc000043211 (L-cysteine Hydrochloride)