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Bovine Rumen Metabolome Database



Showing metabocard for Oleic acid (RMDB00207)

Legend: metabolite field enzyme field

Version 1.0
Creation Date 2005-11-16 15:48:42
Update Date 2009-05-05 20:57:45
Accession Number RMDB00207
Common Name Oleic acid
Description An unsaturated fatty acid that is the most widely distributed and abundant fatty acid in nature. It is used commercially in the preparation of oleates and lotions, and as a pharmaceutical solvent. (Stedman, 26th ed) Biological Source: Major constituent of plant oils e.g. olive oil (ca. 80%), almond oil (ca. 80%) and many others, mainly as glyceride. Constituent of tall oil and present in fruits Use/Importance: Food additive. Used in manuf. of surfactants, soaps, plasticizers. Emulsifying agent in foods and pharmaceuticals. Biological Use/Importance: Skin penetrant. Herbicide, insecticide, fungicide (Dictionary of Organic Compounds)
Synonyms
  1. (9Z)-9-Octadecenoate
  2. (9Z)-9-Octadecenoic acid
  3. (9Z)-Octadecenoate
  4. (9Z)-Octadecenoic acid
  5. (Z)-9-Octadecanoate
  6. (Z)-9-Octadecanoic acid
  7. (Z)-Octadec-9-enoate
  8. (Z)-Octadec-9-enoic acid
  9. 9,10-Octadecenoate
  10. 9,10-Octadecenoic acid
  11. 9-(Z)-octadecenoate
  12. 9-(Z)-octadecenoic acid
  13. 9-Octadecenoate
  14. 9-Octadecenoic acid
  15. Century cd fatty acid
  16. Distoline
  17. Elaate
  18. Elaic acid
  19. Elaidoate
  20. Elaidoic acid
  21. Emersol 210
  22. Emersol 211
  23. Emersol 213
  24. Emersol 220 White Oleate
  25. Emersol 220 White Oleic acid
  26. Emersol 221 Low Titer White Oleate
  27. Emersol 221 Low Titer White Oleic acid
  28. Emersol 233ll
  29. Emersol 6321
  30. Emersol 6333 NF
  31. Emersol 7021
  32. Glycon ro
  33. Glycon wo
  34. Groco 2
  35. Groco 4
  36. Groco 5l
  37. Groco 6
  38. Industrene 104
  39. Industrene 105
  40. Industrene 205
  41. Industrene 206
  42. L'acide oleique
  43. Metaupon
  44. Oelsauere
  45. Oleate
  46. Oleic acid 90-95%
  47. Oleinate
  48. Oleinic acid
  49. Pamolyn
  50. Pamolyn 100
  51. Pamolyn 100 FG
  52. Pamolyn 100 FGK
  53. Pamolyn 125
  54. Priolene 6900
  55. Red oil
  56. Tego-oleic 130
  57. Vopcolene 27
  58. Wecoline OO
  59. Z-9-Octadecenoate
  60. Z-9-Octadecenoic acid
  61. cis-9-Octadecenoate
  62. cis-9-Octadecenoic acid
  63. cis-Octadec-9-enoate
  64. cis-Octadec-9-enoic acid
  65. cis-Oleate
  66. cis-Oleic acid
  67. oleic acid extra pure
Chemical IUPAC Name 9-Octadecenoic acid
Chemical Formula C18H34O2
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 282.461
Monoisotopic Molecular Weight 282.255890
Isomeric SMILES CCCCCCCCC=C/CCCCCCCC(O)=O
Canonical SMILES CCCCCCCCC=CCCCCCCCC(O)=O
KEGG Compound ID C00712 Link Image
BioCyc ID OLEATE-CPD Link Image
BiGG ID Not Available
Wikipedia Link Oleic acid Link Image
METLIN ID 190 Link Image
PubChem Compound 965 Link Image
PubChem Substance 3978 Link Image
ChEBI ID 16196 Link Image
CAS Registry Number 112-80-1
InChI Identifier InChI=1/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
Synthesis Reference Hu, Sheng; Yuan, Ji-rong; Zhu, Jin; Yin, Ying-sui. Preparation of high-purity oleic acid by selective reaction. Yingyong Huagong (2005), 34(12), 748-750, 753.
Melting Point (Experimental) 13.4 oC
Experimental Water Solubility Not Available Source: PhysProp
Predicted Water Solubility 1.15e-05 mg/mL [MEYLAN,WM et al. (1996)]; 1.21e-04 mg/mL [Predicted by ALOGPS] Calculated using ALOGPS
Physiological Charge -1
State Liquid
Experimental LogP/Hydrophobicity Not Available Source: PhysProp
Predicted LogP/Hydrophobicity 7.68 [Predicted by ALOGPS]; 6.5 [Predicted by PubChem via XLOGP]; 7.73 [MEYLAN,WM & HOWARD,PH (1995)] Calculated using ALOGPS
Material Safety Data Sheet (MSDS)
MOL File Show Link Image
SDF File Show Link Image
PDB File Show Link Image
2D Structure
3D Structure
Experimental PDB ID 1FE3 Link Image
Experimental PDB File Show
Experimental PDB Structure
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
Show Peaklist
Mass Spectrum
Low Energy
Download File
Show Experimental Conditions Link Image
Medium Energy
Download File
Show Experimental Conditions Link Image
High Energy
Download File
Show Experimental Conditions Link Image
Simplified TOCSY Spectrum Not Available
BMRB Spectrum Not Available
Cellular Location
  • Membrane (Predicted from LogP)
Biofluid Location
  • Rumen
Tissue Location
Concentrations (Normal)
Biofluid Rumen
Value 1.1 +/- 0.3 uM
Age N/A
Sex N/A
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
  1. Wikipedia Link Image