| Identification |
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| YMDB ID | YMDB00541 |
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| Name | episteryl oleate |
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| Species | Saccharomyces cerevisiae |
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| Strain | Baker's yeast |
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| Description | episteryl oleate belongs to the class of organic compounds known as steroid esters. Steroid esters are compounds containing a steroid moiety which bears a carboxylic acid ester group. episteryl oleate is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. |
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| Structure | |
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| Synonyms | - 1-oleoyl-cholesterol
- 18:1(9Z) Cholesterol ester
- 3beta-Hydroxy-5-cholestene 3-oleate
- 5-Cholesten-3b-ol 3-oleate
- Cholest-5-en-3-beta-yl oleate
- Cholest-5-en-3-ol (3b)-(Z)-9-octadecenoate
- Cholest-5-en-3-ol (3b)-(Z)-9-octadecenoic acid
- Cholest-5-en-3-ol (3beta)-, 9-octadecenoate, (Z)-
- Cholest-5-en-3-yl (9Z)-9-octadecenoate
- cholest-5-en-3b-yl
- cholesterol 1-(9Z-octadecenoate
- cholesterol 1-(9Z-octadecenoate)
- cholesterol 1-(9Z-octadecenoic acid
- cholesterol 1-(9Z-octadecenoic acid)
- Cholesterol 3beta-oleate
- Cholesterol Ester(18:1)
- Cholesterol Ester(18:1/0:0)
- Cholesterol Ester(18:1n9/0:0)
- Cholesterol Ester(18:1w9/0:0)
- Cholesterol, oleate
- Cholesteroyl-oleate
- Cholesteryl [9,10-3H]oleate
- cholesteryl 1-oleoate
- cholesteryl 1-oleoic acid
- Cholesteryl cis-9-octadecenoate
- Cholesteryl cis-9-octadecenoic acid
- Cholesteryl oleate
- Cholesteryl oleate-9,10-3H
- Cholesteryl oleate-9,10-t2
- Cholesteryl oleic ester
- Cholesteryl-beta-D-glucoside
- Cholesteryl-beta-delta-glucoside
- Oleic acid cholesteryl ester
- Oleoylcholesterol
- Episteryl oleic acid
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| CAS number | Not Available |
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| Weight | Average: 663.1103
Monoisotopic: 662.60018174 |
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| InChI Key | WXTXUXMQBSJEQW-PIJZSGCZSA-N |
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| InChI | InChI=1S/C46H78O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-44(47)48-39-30-32-45(6)38(34-39)26-27-40-42-29-28-41(46(42,7)33-31-43(40)45)37(5)25-24-36(4)35(2)3/h15-16,27,35,37-39,41-43H,4,8-14,17-26,28-34H2,1-3,5-7H3/b16-15-/t37-,38+,39+,41-,42+,43+,45+,46-/m1/s1 |
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| IUPAC Name | (1R,2S,5S,7S,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methyl-5-methylideneheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-yl (9Z)-octadec-9-enoate |
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| Traditional IUPAC Name | episteryl oleate |
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| Chemical Formula | C46H78O2 |
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| SMILES | CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@]([H])(CC=C3[C@]4([H])CC[C@]([H])([C@H](C)CCC(=C)C(C)C)[C@@]4(C)CC[C@]23[H])C1 |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as steroid esters. Steroid esters are compounds containing a steroid moiety which bears a carboxylic acid ester group. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Steroids and steroid derivatives |
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| Sub Class | Steroid esters |
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| Direct Parent | Steroid esters |
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| Alternative Parents | |
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| Substituents | - Steroid ester
- Delta-7-steroid
- Carboxylic acid ester
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aliphatic homopolycyclic compound
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| Molecular Framework | Aliphatic homopolycyclic compounds |
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| External Descriptors | |
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| Physical Properties |
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| State | Not Available |
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| Charge | 0 |
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| Melting point | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Water Solubility | Not Available | PhysProp | | LogP | Not Available | PhysProp |
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| Predicted Properties | |
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| Biological Properties |
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| Cellular Locations | |
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| Organoleptic Properties | Not Available |
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| SMPDB Pathways | Not Available |
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| KEGG Pathways | Not Available |
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| SMPDB Reactions | Not Available |
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| KEGG Reactions | |
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| Concentrations |
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| Intracellular Concentrations | Not Available |
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| Extracellular Concentrations | Not Available |
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| Spectra |
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| Spectra | |
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| References |
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| References: | - Herrgard, M. J., Swainston, N., Dobson, P., Dunn, W. B., Arga, K. Y., Arvas, M., Bluthgen, N., Borger, S., Costenoble, R., Heinemann, M., Hucka, M., Le Novere, N., Li, P., Liebermeister, W., Mo, M. L., Oliveira, A. P., Petranovic, D., Pettifer, S., Simeonidis, E., Smallbone, K., Spasic, I., Weichart, D., Brent, R., Broomhead, D. S., Westerhoff, H. V., Kirdar, B., Penttila, M., Klipp, E., Palsson, B. O., Sauer, U., Oliver, S. G., Mendes, P., Nielsen, J., Kell, D. B. (2008). "A consensus yeast metabolic network reconstruction obtained from a community approach to systems biology." Nat Biotechnol 26:1155-1160.18846089
- Zweytick, D., Leitner, E., Kohlwein, S. D., Yu, C., Rothblatt, J., Daum, G. (2000). "Contribution of Are1p and Are2p to steryl ester synthesis in the yeast Saccharomyces cerevisiae." Eur J Biochem 267:1075-1082.10672016
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| Synthesis Reference: | Not Available |
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| External Links: | | Resource | Link |
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| CHEBI ID | 52375 | | HMDB ID | Not Available | | Pubchem Compound ID | 25271605 | | Kegg ID | Not Available | | ChemSpider ID | 23106998 | | FOODB ID | Not Available | | Wikipedia ID | Not Available | | BioCyc ID | Not Available |
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