Identification
- Generic Name
- D-Cysteine
- DrugBank Accession Number
- DB03201
- Background
A thiol-containing non-essential amino acid that is oxidized to form CYSTINE.
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for D-Cysteine (DB03201)
- Weight
- Average: 121.158
Monoisotopic: 121.019749163 - Chemical Formula
- C3H7NO2S
- Synonyms
- (2S)-2-amino-3-mercaptopropanoic acid
- (2S)-2-amino-3-sulfanylpropanoic acid
- (S)-2-amino-3-mercaptopropanoic acid
- D-Amino-3-mercaptopropionic acid
- D-Cystein
- D-Zystein
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UCarboxypeptidase A1 Not Available Humans - Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Products
Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.- Product Ingredients
Ingredient UNII CAS InChI Key D-Cysteine hydrochloride monohydrate Not Available 32443-99-5 QIJRTFXNRTXDIP-YBBRRFGFSA-N
Categories
- Drug Categories
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as cysteine and derivatives. These 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
- D-alpha-amino acids / Amino acids / Monocarboxylic acids and derivatives / Carboxylic acids / Alkylthiols / Organopnictogen compounds / Organic oxides / Monoalkylamines / Hydrocarbon derivatives / Carbonyl compounds
- Substituents
- Aliphatic acyclic compound / Alkylthiol / Alpha-amino acid / Amine / Amino acid / Carbonyl group / Carboxylic acid / Cysteine or derivatives / D-alpha-amino acid / Hydrocarbon derivative
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- D-alpha-amino acid, cysteine (CHEBI:16375) / Other amino acids (C00793)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- IU8WN3PPI2
- CAS number
- 921-01-7
- InChI Key
- XUJNEKJLAYXESH-UWTATZPHSA-N
- InChI
- InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1
- IUPAC Name
- (2S)-2-amino-3-sulfanylpropanoic acid
- SMILES
- N[C@H](CS)C(O)=O
References
- Synthesis Reference
Maria-Regina Kula, Matthias Kittelmann, "Method of using N-acetyl-2,3-Didehydroleucine acylase for the preparation of D- or L-tryptophyl glycine, D- or L-tryptophyl-D-methionine or L-tryptophyl-D-cysteine." U.S. Patent US5212069, issued July, 1992.
US5212069- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0003417
- KEGG Compound
- C00793
- PubChem Compound
- 92851
- PubChem Substance
- 46505834
- ChemSpider
- 83819
- BindingDB
- 50109584
- ChEBI
- 35236
- ChEMBL
- CHEMBL171281
- ZINC
- ZINC000000895347
- PDBe Ligand
- DCY
- PDB Entries
- 1c4b / 1czq / 1e9w / 1f57 / 1oln / 1pcg / 1xbh / 2aou / 2jq7 / 2jue … show 75 more
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 23.1 mg/mL 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 11.4 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS Not Available MS/MS Spectrum - Quattro_QQQ 10V, N/A (Annotated) LC-MS/MS splash10-056r-9300000000-ed3d829a54e4ac06325d MS/MS Spectrum - Quattro_QQQ 25V, N/A (Annotated) LC-MS/MS splash10-0a4i-9000000000-224425097c9b1883d266 MS/MS Spectrum - Quattro_QQQ 40V, N/A (Annotated) LC-MS/MS splash10-0a4i-9000000000-39cb21d5fd8f893ba8fd Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available 1H NMR Spectrum 1D NMR Not Applicable [1H,13C] 2D NMR Spectrum 2D NMR Not Applicable
Targets
Build, predict & validate machine-learning models
Use our structured and evidence-based datasets to unlock newinsights and accelerate drug research.
Use our structured and evidence-based datasets to unlock new insights and accelerate drug research.
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Zinc ion binding
- Specific Function
- Carboxypeptidase that catalyzes the release of a C-terminal amino acid, but has little or no action with -Asp, -Glu, -Arg, -Lys or -Pro.
- Gene Name
- CPA1
- Uniprot ID
- P15085
- Uniprot Name
- Carboxypeptidase A1
- Molecular Weight
- 47139.86 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52