cis-geranyl CoA (PAMDB110373)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB110373
Identification
Name: cis-geranyl CoA
Description:Not Available
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • cis-geranyl Coenzyme A
Chemical Formula: C31H50N7O17P3S
Average Molecular Weight: 917.75
Monoisotopic Molecular Weight: 917.2196734371
InChI Key: Not Available
InChI:Not Available
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:CC(C)(COP(O)(=O)OP(O)(=O)OCC1(OC(C(O)C1OP(O)(O)=O)n2(cnc3(c(N)ncnc23))))C(O)C(=O)NCCC(=O)NCCSC(C=C(CCC=C(C)C)C)=O
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as acyl coas. These are organic compounds containing a coenzyme A substructure linked to an acyl chain.
Kingdom Organic compounds
Super ClassLipids and lipid-like molecules
Class Fatty Acyls
Sub ClassFatty acyl thioesters
Direct Parent Acyl CoAs
Alternative Parents
Substituents
  • Coenzyme a or derivatives
  • Purine ribonucleoside 3',5'-bisphosphate
  • Purine ribonucleoside bisphosphate
  • Purine ribonucleoside diphosphate
  • Pentose phosphate
  • Pentose-5-phosphate
  • Ribonucleoside 3'-phosphate
  • Beta amino acid or derivatives
  • Glycosyl compound
  • N-glycosyl compound
  • Monosaccharide phosphate
  • Monoterpenoid
  • Organic pyrophosphate
  • Bicyclic monoterpenoid
  • Pentose monosaccharide
  • 6-aminopurine
  • Aromatic monoterpenoid
  • Imidazopyrimidine
  • Purine
  • Monoalkyl phosphate
  • Aminopyrimidine
  • N-acyl-amine
  • N-substituted imidazole
  • Organic phosphoric acid derivative
  • Pyrimidine
  • Imidolactam
  • Fatty amide
  • Alkyl phosphate
  • Phosphoric acid ester
  • Primary aromatic amine
  • Monosaccharide
  • Oxolane
  • Imidazole
  • Azole
  • Heteroaromatic compound
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Amino acid or derivatives
  • Secondary alcohol
  • Thiocarboxylic acid ester
  • Carbothioic s-ester
  • Oxacycle
  • Azacycle
  • Organoheterocyclic compound
  • Sulfenyl compound
  • Thiocarboxylic acid or derivatives
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Carbonyl group
  • Organopnictogen compound
  • Primary amine
  • Organic oxide
  • Hydrocarbon derivative
  • Organic nitrogen compound
  • Organosulfur compound
  • Alcohol
  • Amine
  • Organooxygen compound
  • Organonitrogen compound
  • Aromatic heteropolycyclic compound
Molecular Framework Aromatic heteropolycyclic compounds
External Descriptors Not Available
Physical Properties
State: Not Available
Charge:Not Available
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Mass917.7539ChemAxon
logP2.7204ChemAxon
H-bond acceptors24ChemAxon
H-bond donors9ChemAxon
Rotatable bonds26ChemAxon
PSA418.3600ChemAxon
RO5 violations3ChemAxon
RO3 violations5ChemAxon
Refractivity210.0231ChemAxon
Atoms109ChemAxon
Rings3ChemAxon
Heavy atoms59ChemAxon
Hydrogen atoms50ChemAxon
Heteroatoms28ChemAxon
N/O atoms24ChemAxon
Inorganic atoms0ChemAxon
Halogen atoms0ChemAxon
Chiral centers5ChemAxon
R/S chiral centers0ChemAxon
Unknown chiral centers0ChemAxon
Undefined chiral centers5ChemAxon
Stereo double bonds1ChemAxon
Cis/trans stereo double bonds0ChemAxon
Unknown stereo double bonds1ChemAxon
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
PseudoCycCPDB-5702