Record Information Version
1.0 Update Date
1/22/2018 11:54:54 AM
Metabolite ID PAMDB110044
Identification Name:
pimeloyl-CoA Description: Not Available
Structure
Synonyms:
6-carboxyhexanoyl-CoA
pimelyl-CoA
Chemical Formula:
C28 H41 N7 O19 P3 S
Average Molecular Weight:
909.1782025529 Monoisotopic Molecular
Weight:
909.1782025529 InChI Key:
LYCRXMTYUZDUGA-UYRKPTJQSA-I InChI:
InChI=1S/C28H46N7O19P3S/c1-28(2,23(41)26(42)31-9-8-17(36)30-10-11-58-19(39)7-5-3-4-6-18(37)38)13-51-57(48,49)54-56(46,47)50-12-16-22(53-55(43,44)45)21(40)27(52-16)35-15-34-20-24(29)32-14-33-25(20)35/h14-16,21-23,27,40-41H,3-13H2,1-2H3,(H,30,36)(H,31,42)(H,37,38)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/p-5/t16-,21-,22-,23+,27-/m1/s1 CAS
number:
Not Available IUPAC Name: Not Available
Traditional IUPAC Name:
Not Available SMILES: CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CCCCCC([O-])=O)=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[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 6-aminopurine Monosaccharide phosphate Organic pyrophosphate Imidazopyrimidine Purine Medium-chain fatty acid Aminopyrimidine Hydroxy fatty acid Fatty acid Fatty amide Imidolactam Monosaccharide N-acyl-amine N-substituted imidazole Organic phosphoric acid derivative Alkyl phosphate Phosphoric acid ester Pyrimidine Tetrahydrofuran Imidazole Heteroaromatic compound Azole Thiocarboxylic acid ester Secondary carboxylic acid amide Secondary alcohol Carboxamide group Amino acid Carbothioic s-ester Amino acid or derivatives Organoheterocyclic compound Carboxylic acid derivative Carboxylic acid Oxacycle Azacycle Thiocarboxylic acid or derivatives Monocarboxylic acid or derivatives Sulfenyl compound Organosulfur compound Organic nitrogen compound Organonitrogen compound Organooxygen compound Organic oxide Primary amine Alcohol Amine Organic oxygen compound Carbonyl group Organopnictogen compound Hydrocarbon derivative Organic anion Aromatic heteropolycyclic compound Molecular Framework
Aromatic heteropolycyclic compounds External Descriptors
a small molecule (CPD-558)
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.
