Record Information Version
1.0 Update Date
1/22/2018 11:54:54 AM
Metabolite ID PAMDB110799
Identification Name:
3-dehydrocarnitine CoA Description: Not Available
Structure
Synonyms:
Chemical Formula:
C29 H46 N8 O18 P3 S2
Average Molecular Weight:
951.77 Monoisotopic Molecular
Weight:
955.1897327544 InChI Key:
Not Available InChI: Not Available CAS
number:
Not Available IUPAC Name: Not Available
Traditional IUPAC Name:
Not Available SMILES: C(C(=O)CC(=O)SSCCNC(=O)CCNC(=O)C(O)C(COP(OP(OCC3(C(OP(=O)([O-])[O-])C(O)C(N2(C1(N=CN=C(N)C=1N=C2)))(C)O3))(=O)[O-])(=O)[O-])(C)C)[N+](C)(C)C
Chemical Taxonomy
Taxonomy Description This compound belongs to the class of organic compounds known as coenzyme a and derivatives. These are derivative of vitamin B5 containing a 4'-phosphopantetheine moiety attached to a diphospho-adenosine.
Kingdom
Organic compounds Super Class Nucleosides, nucleotides, and analogues
Class
Purine nucleotides Sub Class Purine ribonucleotides
Direct Parent
Coenzyme A and derivatives Alternative Parents
Substituents
Coenzyme a or derivatives Purine ribonucleoside diphosphate Ribonucleoside 3'-phosphate Pentose phosphate Pentose-5-phosphate Beta amino acid or derivatives C-glycosyl compound Glycosyl compound 6-aminopurine Monosaccharide phosphate Organic pyrophosphate Imidazopyrimidine Purine Aminopyrimidine Fatty amide Monosaccharide N-acyl-amine N-substituted imidazole Organic phosphoric acid derivative Fatty acyl Phosphoric acid ester Imidolactam Pyrimidine 1,3-dicarbonyl compound Alkyl phosphate Tetrahydrofuran Quaternary ammonium salt Tetraalkylammonium salt Imidazole Heteroaromatic compound Alpha-aminoketone Azole Secondary carboxylic acid amide Amino acid or derivatives Organic disulfide Secondary alcohol Carboxamide group Ketone Azacycle Organoheterocyclic compound Oxacycle Thiocarboxylic acid or derivatives Sulfenyl compound Carboxylic acid derivative Organonitrogen compound Primary amine Organic nitrogen compound Organic oxide Hydrocarbon derivative Alcohol Organic salt Organopnictogen compound Carbonyl group Organooxygen compound Organosulfur compound Organic oxygen compound Amine 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:
Carnitine Catabolism to Glycine BetainePWYB-96
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.
