cysteine-adenylate (PAMDB110074)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB110074
Identification
Name: cysteine-adenylate
Description:Not Available
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • cysteine-AMP
Chemical Formula: C13H18N6O8PS
Average Molecular Weight: 450.0722688179
Monoisotopic Molecular Weight: 450.0722688179
InChI Key: CHQCHJWWSCSGOJ-MACXSXHHSA-M
InChI: InChI=1S/C13H19N6O8PS/c14-5(2-29)13(22)27-28(23,24)25-1-6-8(20)9(21)12(26-6)19-4-18-7-10(15)16-3-17-11(7)19/h3-6,8-9,12,20-21,29H,1-2,14H2,(H,23,24)(H2,15,16,17)/p-1/t5-,6+,8+,9+,12+/m0/s1
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP([O-])(=O)OC(=O)C(CS)N
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as 5'-acylphosphoadenosines. These are ribonucleoside derivatives containing an adenoside moiety, where the phosphate group is acylated.
Kingdom Organic compounds
Super ClassNucleosides, nucleotides, and analogues
Class Purine nucleotides
Sub ClassPurine ribonucleotides
Direct Parent 5'-acylphosphoadenosines
Alternative Parents
Substituents
  • 5'-acylphosphoadenosine
  • Pentose phosphate
  • Pentose-5-phosphate
  • Cysteine or derivatives
  • Glycosyl compound
  • N-glycosyl compound
  • 6-aminopurine
  • Alpha-amino acid or derivatives
  • Monosaccharide phosphate
  • Pentose monosaccharide
  • Imidazopyrimidine
  • Purine
  • Phosphoethanolamine
  • Acyl phosphate
  • Aminopyrimidine
  • Monosaccharide
  • Imidolactam
  • Phosphoric acid ester
  • N-substituted imidazole
  • Organic phosphoric acid derivative
  • Pyrimidine
  • Alkyl phosphate
  • Imidazole
  • Heteroaromatic compound
  • Azole
  • Tetrahydrofuran
  • 1,2-diol
  • Amino acid or derivatives
  • Secondary alcohol
  • Carboxylic acid salt
  • Organoheterocyclic compound
  • Azacycle
  • Alkylthiol
  • Oxacycle
  • Carboxylic acid derivative
  • Monocarboxylic acid or derivatives
  • Organic nitrogen compound
  • Organic oxygen compound
  • Primary aliphatic amine
  • Organonitrogen compound
  • Organooxygen compound
  • Organosulfur compound
  • Carbonyl group
  • Primary amine
  • Organic salt
  • Amine
  • Hydrocarbon derivative
  • Organic oxide
  • Alcohol
  • Organopnictogen compound
  • Organic anion
  • Aromatic heteropolycyclic compound
Molecular Framework Aromatic heteropolycyclic compounds
External Descriptors
  • a small molecule (CPD-12085)
Physical Properties
State: Not Available
Charge:Not Available
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight449.355 g/molPubChem
XLogP3-3.6 PubChem
Hydrogen Bond Donor Count5 PubChem
Hydrogen Bond Acceptor Count14 PubChem
Rotatable Bond Count8 PubChem
Exact Mass449.064 g/molPubChem
Monoisotopic Mass449.064 g/molPubChem
Topological Polar Surface Area222 A^2PubChem
Heavy Atom Count29 PubChem
Formal Charge-1 PubChem
Complexity642 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count5 PubChem
Undefined Atom Stereocenter Count0 PubChem
Defined Bond Stereocenter Count0 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
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
PubChem45479576