You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Yeast Metabolome Database.
| Identification |
|---|
| YMDB ID | YMDB00542 |
|---|
| Name | ergosteryl oleate |
|---|
| Species | Saccharomyces cerevisiae |
|---|
| Strain | Baker's yeast |
|---|
| Description | ergosteryl 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. ergosteryl oleate is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. |
|---|
| Structure | |
|---|
| Synonyms | |
|---|
| CAS number | Not Available |
|---|
| Weight | Average: 661.0944
Monoisotopic: 660.584531676 |
|---|
| InChI Key | VVZNLLXLOKRQPH-NZIRWOIASA-N |
|---|
| InChI | InChI=1S/C46H76O2/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/h15-16,24-27,35-37,39,41-43H,8-14,17-23,28-34H2,1-7H3/b16-15-,25-24+/t36-,37+,39-,41+,42-,43-,45-,46+/m0/s1 |
|---|
| IUPAC Name | (1S,2R,5S,11R,14R,15R)-14-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-7,9-dien-5-yl (9Z)-octadec-9-enoate |
|---|
| Traditional IUPAC Name | ergosteryl oleate |
|---|
| Chemical Formula | C46H76O2 |
|---|
| SMILES | CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC=C3[C@]4([H])CC[C@]([H])([C@H](C)\C=C\[C@H](C)C(C)C)[C@@]4(C)CC[C@]23[H])C1 |
|---|
| Chemical Taxonomy |
|---|
| 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. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Lipids and lipid-like molecules |
|---|
| Class | Steroids and steroid derivatives |
|---|
| Sub Class | Steroid esters |
|---|
| Direct Parent | Steroid esters |
|---|
| Alternative Parents | |
|---|
| Substituents | - Steroid ester
- Delta-7-steroid
- Delta-5-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
|
|---|
| Molecular Framework | Aliphatic homopolycyclic compounds |
|---|
| External Descriptors | |
|---|
| Physical Properties |
|---|
| State | Not Available |
|---|
| Charge | 0 |
|---|
| Melting point | Not Available |
|---|
| Experimental Properties | | Property | Value | Reference |
|---|
| Water Solubility | Not Available | PhysProp | | LogP | Not Available | PhysProp |
|
|---|
| Predicted Properties | |
|---|
| Biological Properties |
|---|
| Cellular Locations | |
|---|
| Organoleptic Properties | Not Available |
|---|
| SMPDB Pathways | Not Available |
|---|
| KEGG Pathways | Not Available |
|---|
| SMPDB Reactions | Not Available |
|---|
| KEGG Reactions | |
|---|
| Concentrations |
|---|
| Intracellular Concentrations | Not Available |
|---|
| Extracellular Concentrations | Not Available |
|---|
| Spectra |
|---|
| Spectra | |
|---|
| References |
|---|
| 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
|
|---|
| Synthesis Reference: | Not Available |
|---|
| External Links: | | Resource | Link |
|---|
| CHEBI ID | 52377 | | HMDB ID | Not Available | | Pubchem Compound ID | 25271616 | | Kegg ID | Not Available | | ChemSpider ID | 23107000 | | FOODB ID | Not Available | | Wikipedia ID | Not Available | | BioCyc ID | Not Available |
|
|---|
