Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB110104
Identification
Name: R-4'-phosphopantothenoyl-L-cysteine
Description:Not Available
Structure
Thumb
Synonyms:
  • (R)-4'-phospho-N-pantothenoyl-L-cysteine
  • 4-P-N-pantothenoylcysteine
  • 4'-P-N-pantothenoylcysteine
  • N-((R)-4-phosphopantothenoyl)-L-cysteine
  • 4'-phosphopantothenoylcysteine
  • 4'-phospho-N-pantothenoylcysteine
  • (R)-4'-phosphopantothenoyl-L-cysteine
  • N-[(R)-4'-phosphopantothenoyl]-L-cysteine
  • PPC
Chemical Formula: C12H20N2O9PS
Average Molecular Weight: 402.0861875476
Monoisotopic Molecular Weight: 402.0861875476
InChI Key: XQYALQVLCNHCFT-CBAPKCEASA-K
InChI: InChI=1S/C12H23N2O9PS/c1-12(2,6-23-24(20,21)22)9(16)10(17)13-4-3-8(15)14-7(5-25)11(18)19/h7,9,16,25H,3-6H2,1-2H3,(H,13,17)(H,14,15)(H,18,19)(H2,20,21,22)/p-3/t7-,9-/m0/s1
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:CC(C)(COP(=O)([O-])[O-])C(O)C(=O)NCCC(=O)NC(CS)C(=O)[O-]
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond.
Kingdom Organic compounds
Super ClassOrganic acids and derivatives
Class Peptidomimetics
Sub ClassHybrid peptides
Direct Parent Hybrid peptides
Alternative Parents
Substituents
  • Hybrid peptide
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Cysteine or derivatives
  • Beta amino acid or derivatives
  • Alpha-amino acid or derivatives
  • Fatty amide
  • Fatty acyl
  • Monosaccharide
  • Alkyl phosphate
  • Phosphoric acid ester
  • N-acyl-amine
  • Organic phosphoric acid derivative
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Secondary alcohol
  • Alkylthiol
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Alcohol
  • Organopnictogen compound
  • Carbonyl group
  • Organic oxygen compound
  • Organosulfur compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organic anion
  • Aliphatic acyclic compound
Molecular Framework Aliphatic acyclic compounds
External Descriptors
  • a small molecule (R-4-PHOSPHOPANTOTHENOYL-L-CYSTEINE)
Physical Properties
State: Not Available
Charge:Not Available
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Mass399.3363ChemAxon
logP-1.1882ChemAxon
H-bond acceptors11ChemAxon
H-bond donors3ChemAxon
Rotatable bonds13ChemAxon
PSA239.5900ChemAxon
RO5 violations1ChemAxon
RO3 violations4ChemAxon
Refractivity83.4692ChemAxon
Atoms45ChemAxon
Rings0ChemAxon
Heavy atoms25ChemAxon
Hydrogen atoms20ChemAxon
Heteroatoms13ChemAxon
N/O atoms11ChemAxon
Inorganic atoms0ChemAxon
Halogen atoms0ChemAxon
Chiral centers2ChemAxon
R/S chiral centers0ChemAxon
Unknown chiral centers0ChemAxon
Undefined chiral centers2ChemAxon
Stereo double bonds0ChemAxon
Cis/trans stereo double bonds0ChemAxon
Unknown stereo double bonds0ChemAxon
Undefined stereo double bonds 0ChemAxon
Biological Properties
Cellular Locations: Not Available
Reactions:
Pathways:
Spectra
Spectra: Not Available
References
References: Not Available
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
PseudoCycR-4-PHOSPHOPANTOTHENOYL-L-CYSTEINE