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Bovine Metabolome Database



Showing metabocard for Pimelylcarnitine (BMDB13328)

Legend: metabolite field enzyme field

Version 1.0
Creation Date 2010-02-22 10:39:32
Update Date 2010-04-27 16:41:04
Accession Number BMDB13328
Common Name Pimelylcarnitine
Description Not Available
Synonyms
  1. Heptanedioylcarnitine
Chemical IUPAC Name Not Available
Chemical Formula C14H25NO6
Chemical Structure Structure
Chemical Taxonomy
Kingdom
  • Organic
Super Class
Class
Sub Class
Family
  • Mammalian_Metabolite
Species
  • cation; anion; quaternary ammonium salt; carboxylic acid; carboxylic acid salt; carboxylic acid ester
Biofunction
Application
Source
  • Endogenous
Average Molecular Weight 303.351
Monoisotopic Molecular Weight 303.168182
Isomeric SMILES C[N+](C)(C)[C@H](CCC([O-])=O)OC(=O)CCCCCC(O)=O
Canonical SMILES C[N+](C)(C)C(CCC([O-])=O)OC(=O)CCCCCC(O)=O
KEGG Compound ID Not Available
BioCyc ID Not Available
BiGG ID Not Available
Wikipedia Link Not Available
METLIN ID Not Available
PubChem Compound Not Available
PubChem Substance Not Available
ChEBI ID Not Available
CAS Registry Number Not Available
InChI Identifier InChI=1/C14H25NO6/c1-15(2,3)11(9-10-13(18)19)21-14(20)8-6-4-5-7-12(16)17/h11H,4-10H2,1-3H3,(H-,16,17,18,19)/t11-/m0/s1
Synthesis Reference Not Available
Melting Point (Experimental) Not Available
Experimental Water Solubility Not Available Source: PhysProp
Predicted Water Solubility 0.0195 mg/mL [Predicted by ALOGPS] Calculated using ALOGPS
Physiological Charge 0
State Solid
Experimental LogP/Hydrophobicity Not Available Source: PhysProp
Predicted LogP/Hydrophobicity -0.84 [Predicted by ALOGPS] Calculated using ALOGPS
Material Safety Data Sheet (MSDS) Not Available
MOL File Show
SDF File Show
PDB File Show
2D Structure
3D Structure
Experimental PDB ID Not Available
Experimental 1H NMR Spectrum Not Available
Experimental 13C NMR Spectrum Not Available
Experimental 13C HSQC Spectrum Not Available
Predicted 1H NMR Spectrum Not Available
Not Available
Predicted 13C NMR Spectrum Not Available
Not Available
Mass Spectrum Not Available
Simplified TOCSY Spectrum Not Available
BMRB Spectrum Not Available
Cellular Location Not Available
Biofluid Location
  • Rumen
Tissue Location Not Available
Concentrations (Normal)
Biofluid Rumen
Value 0.01 +/- * uM
Age N/A
Sex N/A
Condition Normal
Comments Not Available
References
  • The rumen metabolome (in preparation)
Concentrations (Abnormal) Not Available
Pathway Names Not Available
HMDB Pathways Not Available
KEGG Pathways Not Available
SimCell Pathways Not Available
General References Not Available