Record Information Version
1.0 Update Date
1/22/2018 11:54:54 AM
Metabolite ID PAMDB110374
Identification Name:
citronellyl-CoA Description: Not Available
Structure
Synonyms:
Chemical Formula:
C31 H52 N7 O17 P3 S
Average Molecular Weight:
919.77 Monoisotopic Molecular
Weight:
919.2353235013 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(CC(CCC=C(C)C)C)=O
Chemical Taxonomy
Taxonomy Description This compound belongs to the class of organic compounds known as 2,3,4-saturated fatty acyl coas. These are acyl-CoAs carrying a 2,3,4-saturated fatty acyl chain.
Kingdom
Organic compounds Super Class Lipids and lipid-like molecules
Class
Fatty Acyls Sub Class Fatty acyl thioesters
Direct Parent
2,3,4-saturated fatty 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 Organic pyrophosphate 6-aminopurine Pentose monosaccharide Aromatic monoterpenoid Bicyclic monoterpenoid Monoterpenoid Monosaccharide phosphate Purine Imidazopyrimidine Aminopyrimidine Monoalkyl phosphate N-acyl-amine Pyrimidine Fatty amide Organic phosphoric acid derivative Phosphoric acid ester Monosaccharide N-substituted imidazole Alkyl phosphate Imidolactam Azole Heteroaromatic compound Imidazole Oxolane Amino acid or derivatives Secondary alcohol Secondary carboxylic acid amide Carboxamide group Thiocarboxylic acid ester Carbothioic s-ester Thiocarboxylic acid or derivatives Carboxylic acid derivative Oxacycle Azacycle Organoheterocyclic compound Sulfenyl compound Organooxygen compound Carbonyl group Alcohol Hydrocarbon derivative Organic nitrogen compound Organic oxide Organonitrogen compound Organosulfur compound Primary amine Organic oxygen compound Amine 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
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
Links External Links:
This project is supported by
the University of Maryland ,
School of Pharmacy ,
Mass Spectrometry Center , a Waters Center of Excellence. The center is an NIH-investigator funded research and core facility that supports a wide range of cutting-edge metabolomic studies. The Center is supported through a center grant from the University of Maryland and NIH grants to its members. The PAMDB project is affiliated with
The Metabolomics Innovation Centre (TMIC) a leading metabolomics research and service center funded through Genome Alberta, Genome British Columbia and Genome Canada.
