Record Information Version
1.0 Update Date
1/22/2018 11:54:54 AM
Metabolite ID PAMDB110784
Identification Name:
3-oxo-7-methyl-6-octenoyl-Coenzyme A Description: Not Available
Structure
Synonyms:
3-oxo-7-methyl-6-octenoyl-CoA
Chemical Formula:
C30 H48 N7 O18 P3 S
Average Molecular Weight:
919.73 Monoisotopic Molecular
Weight:
919.198937995 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)=O)=O
Chemical Taxonomy
Taxonomy Description This compound belongs to the class of organic compounds known as 3-oxo-acyl coas. These are organic compounds containing a 3-oxo acylated coenzyme A derivative.
Kingdom
Organic compounds Super Class Lipids and lipid-like molecules
Class
Fatty Acyls Sub Class Fatty acyl thioesters
Direct Parent
3-oxo-acyl CoAs Alternative Parents
Substituents
Coenzyme a or derivatives Purine ribonucleoside 3',5'-bisphosphate Purine ribonucleoside bisphosphate Purine ribonucleoside diphosphate Pentose phosphate Ribonucleoside 3'-phosphate Pentose-5-phosphate Beta amino acid or derivatives Glycosyl compound N-glycosyl compound Organic pyrophosphate Pentose monosaccharide Monosaccharide phosphate 6-aminopurine Purine Imidazopyrimidine Monoalkyl phosphate Aminopyrimidine 1,3-dicarbonyl compound Pyrimidine Alkyl phosphate Monosaccharide N-acyl-amine N-substituted imidazole Organic phosphoric acid derivative Phosphoric acid ester Imidolactam Fatty amide Azole Imidazole Heteroaromatic compound Oxolane Amino acid or derivatives Thiocarboxylic acid ester Carboxamide group Secondary carboxylic acid amide Carbothioic s-ester Ketone Secondary alcohol Sulfenyl compound Azacycle Carboxylic acid derivative Thiocarboxylic acid or derivatives Organoheterocyclic compound Oxacycle Organic nitrogen compound Organosulfur compound Primary amine Carbonyl group Organic oxide Organonitrogen compound Organooxygen compound Alcohol Amine Organic oxygen compound Hydrocarbon derivative 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.
