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Bovine Rumen Metabolome Database



Showing metabocard for 5Z-Tetradecenoic acid (RMDB00521)

Legend: metabolite field enzyme field

Version 1.0
Creation Date 2005-11-16 15:48:42
Update Date 2009-05-05 20:58:02
Accession Number RMDB00521
Common Name 5Z-Tetradecenoic acid
Description 5Z-Tetradecenoic acid is an intermediate of unsaturated fatty acid oxidation that is incorporated in triglycerides but not in phospholipids in tissues from patients with mitochondrial beta-oxidation defects, particularly in very long-chain acyl-CoA dehydrogenase deficiency (VLCADD1/ VLCADD2). (PMID 2051892)
Synonyms
  1. (Z)-5-Tetradecenoate
  2. (Z)-5-Tetradecenoic acid
  3. 5Z-Tetradecenoate
  4. 5Z-Tetradecenoic acid
  5. cis-5-Tetradecenoate
  6. cis-5-Tetradecenoic acid
  7. cis-D5-Tetradecenoate
  8. cis-D5-Tetradecenoic acid
  9. (5Z)- 5-Tetradecenoic acid
  10. (5Z)- 5-Tetradecenoate
Chemical IUPAC Name (5Z)-5-Tetradecenoic acid
Chemical Formula C14H26O2
Chemical Structure Structure
Chemical Taxonomy
Kingdom
  • Organic
Super Class
  • Organic acids
Class
  • Fatty Acids
Sub Class
  • Long chain fatty acids
Family
  • Mammalian_Metabolite
Species
  • carboxylic acid; alkene
Biofunction
Application
Source
  • Endogenous
Average Molecular Weight 226.355
Monoisotopic Molecular Weight 226.193283
Isomeric SMILES CCCCCCCCC=C/CCCC(O)=O
Canonical SMILES CCCCCCCCC=CCCCC(O)=O
KEGG Compound ID Not Available
BioCyc ID Not Available
BiGG ID Not Available
Wikipedia Link Not Available
METLIN ID 5506 Link Image
PubChem Compound 5312400 Link Image
PubChem Substance Not Available
ChEBI ID Not Available
CAS Registry Number 5684-70-8
InChI Identifier InChI=1/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h9-10H,2-8,11-13H2,1H3,(H,15,16)/b10-9-
Synthesis Reference Jin, Shiow Jen; Tserng, Kou Yi. Metabolic origins of urinary unsaturated dicarboxylic acids. Biochemistry (1990), 29(37), 8540-7.
Melting Point (Experimental) Not Available
Experimental Water Solubility Not Available Source: PhysProp
Predicted Water Solubility 1.79e-03 mg/mL [Predicted by ALOGPS] Calculated using ALOGPS
Physiological Charge -1
State Solid
Experimental LogP/Hydrophobicity Not Available Source: PhysProp
Predicted LogP/Hydrophobicity 5.77 [Predicted by ALOGPS]; 4.65 [Predicted by PubChem via XLOGP] Calculated using ALOGPS
Material Safety Data Sheet (MSDS) Not Available
MOL File Show Link Image
SDF File Show Link Image
PDB File Show Link Image
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 Show Image
Show Peaklist
Predicted 13C NMR Spectrum Show Image
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Mass Spectrum Not Available
Simplified TOCSY Spectrum Not Available
BMRB Spectrum Not Available
Cellular Location
  • Cytoplasm
  • Membrane (Predicted from LogP)
Biofluid Location
  • Rumen
Tissue Location Not Available
Concentrations (Normal)
Biofluid Rumen
Value 3.3 +/- 0.6 uM
Age N/A
Sex Female
Condition Normal
Breed Not Available
Experimental Condition Not Available
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