Showing metabocard for D-Cysteine (BMDB0003417)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-09-30 23:04:27 UTC
Update Date2020-04-22 15:12:15 UTC
BMDB IDBMDB0003417
Secondary Accession Numbers
  • BMDB03417
Metabolite Identification
Common NameD-Cysteine
DescriptionD-Cysteine, also known as D-cystein or DCY, 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. D-Cysteine exists in all living species, ranging from bacteria to plants to humans. Based on a literature review a small amount of articles have been published on D-Cysteine.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
(2S)-2-Amino-3-mercaptopropanoic acidChEBI
(2S)-2-Amino-3-sulfanylpropanoic acidChEBI
(S)-2-Amino-3-mercaptopropanoic acidChEBI
D-Amino-3-mercaptopropionic acidChEBI
D-CysteinChEBI
D-ZysteinChEBI
DCYChEBI
(2S)-2-Amino-3-mercaptopropanoateGenerator
(2S)-2-Amino-3-sulfanylpropanoateGenerator
(2S)-2-Amino-3-sulphanylpropanoateGenerator
(2S)-2-Amino-3-sulphanylpropanoic acidGenerator
(S)-2-Amino-3-mercaptopropanoateGenerator
D-Amino-3-mercaptopropionateGenerator
CysteineMeSH, HMDB
Half cystineMeSH, HMDB
Cysteine hydrochlorideMeSH, HMDB
Half-cystineMeSH, HMDB
L-CysteineMeSH, HMDB
L CysteineMeSH, HMDB
Zinc cysteinateMeSH, HMDB
Chemical FormulaC3H7NO2S
Average Molecular Weight121.15
Monoisotopic Molecular Weight121.019749643
IUPAC Name(2S)-2-amino-3-sulfanylpropanoic acid
Traditional NameL cysteine
CAS Registry Number921-01-7
SMILES
N[C@H](CS)C(O)=O
InChI Identifier
InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1
InChI KeyXUJNEKJLAYXESH-UWTATZPHSA-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.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentCysteine and derivatives
Alternative Parents
Substituents
  • Cysteine or derivatives
  • Alpha-amino acid
  • D-alpha-amino acid
  • Amino acid
  • Alkylthiol
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organic oxygen compound
  • 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 FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
StatusExpected but not Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locations
  • Cytoplasm
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-2.6ALOGPS
logP-2.8ChemAxon
logS-0.72ALOGPS
pKa (Strongest Acidic)2.35ChemAxon
pKa (Strongest Basic)9.05ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area63.32 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity28.22 m³·mol⁻¹ChemAxon
Polarizability11.4 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
Biospecimen LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
HMDB IDHMDB0003417
DrugBank IDDB03201
Phenol Explorer Compound IDNot Available
FooDB IDFDB023168
KNApSAcK IDC00007323
Chemspider ID83819
KEGG Compound IDC00793
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkCysteine
METLIN IDNot Available
PubChem Compound92851
PDB IDNot Available
ChEBI ID16375
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available