Record Information Version
1.0 Update Date
1/22/2018 11:54:54 AM
Metabolite ID PAMDB110371
Identification Name:
3-hydroxy-3-isohexenylglutaryl-CoA Description: Not Available
Structure
Synonyms:
3-hydroxy-gamma-carboxy-geranoyl-CoA
3-hydroxy-gamma-carboxy-geranoyl-Coenzyme A
3-hydroxy-3-isohexenylglutaryl-Coenzyme A
Chemical Formula:
C32 H49 N7 O19 P3 S
Average Molecular Weight:
960.76 Monoisotopic Molecular
Weight:
961.2095026813 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)CC([O-])=O)=O
Chemical Taxonomy
Taxonomy Description This 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 Class Lipids and lipid-like molecules
Class
Fatty Acyls Sub Class Fatty 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 Organic pyrophosphate Monoterpenoid Pentose monosaccharide Aromatic monoterpenoid Monosaccharide phosphate 6-aminopurine Bicyclic monoterpenoid Imidazopyrimidine Purine Medium-chain fatty acid Aminopyrimidine Monoalkyl phosphate Hydroxy fatty acid Fatty acid Organic phosphoric acid derivative N-substituted imidazole N-acyl-amine Fatty amide Pyrimidine Unsaturated fatty acid Alkyl phosphate Monosaccharide Phosphoric acid ester Imidolactam Heteroaromatic compound Azole Tetrahydrofuran Imidazole Amino acid or derivatives Carbothioic s-ester Thiocarboxylic acid ester Carboxamide group Secondary carboxylic acid amide Secondary alcohol Amino acid Monocarboxylic acid or derivatives Sulfenyl compound Azacycle Thiocarboxylic acid or derivatives Organoheterocyclic compound Carboxylic acid derivative Oxacycle Carboxylic acid Organonitrogen compound Organooxygen compound Organic nitrogen compound Alcohol Amine Carbonyl group Hydrocarbon derivative Organic oxide Primary amine Organopnictogen compound Organic oxygen compound Organosulfur compound Organic anion 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.
