S-PALMITOYL-L-CYSTEINE

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as d-alpha-amino acids. These are alpha amino acids which have the D-configuration of the alpha-carbon atom.

D-alpha-amino acids

Organic compounds

Organic acids and derivatives

Carboxylic acids and derivatives

Amino acids, peptides, and analogues

Calculated Property

kind Value Source
logP 2.68 ALOGPS
logS -6 ALOGPS
Water Solubility 3.85e-04 g/l ALOGPS
logP 3.53 ChemAxon
IUPAC Name (2R)-2-amino-3-(hexadecanoylsulfanyl)propanoic acid ChemAxon
Traditional IUPAC Name S-palmitoyl-L-cysteine ChemAxon
Molecular Weight 359.567 ChemAxon
Monoisotopic Weight 359.249414745 ChemAxon
SMILES [H][C@](N)(CSC(=O)CCCCCCCCCCCCCCC)C(O)=O ChemAxon
Molecular Formula C19H37NO3S ChemAxon
InChI InChI=1S/C19H37NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)24-16-17(20)19(22)23/h17H,2-16,20H2,1H3,(H,22,23)/t17-/m0/s1 ChemAxon
InChIKey InChIKey=FRAMWPHPFIXRCP-KRWDZBQOSA-N ChemAxon
Polar Surface Area (PSA) 80.39 ChemAxon
Refractivity 102.13 ChemAxon
Polarizability 45.2 ChemAxon
Rotatable Bond Count 18 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 2.05 ChemAxon
pKa (strongest basic) 8.28 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 0 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Trafficking protein particle complex subunit 6A : in Human
  • Trafficking protein particle complex subunit 3 : in Human
  • Trafficking protein particle complex subunit 6B : in Human
  • Trafficking protein particle complex subunit 5 : in Human
  • Trafficking protein particle complex subunit 4 : in Human
  • Trafficking protein particle complex subunit 1 : in Human