Record Information |
---|
Version | 5.0 |
---|
Status | Expected but not Quantified |
---|
Creation Date | 2012-09-11 23:25:12 UTC |
---|
Update Date | 2022-03-07 02:55:38 UTC |
---|
HMDB ID | HMDB0038137 |
---|
Secondary Accession Numbers | |
---|
Metabolite Identification |
---|
Common Name | Bicyclogermacrene |
---|
Description | Bicyclogermacrene belongs to the class of organic compounds known as bicyclogermacrane and isolepidozane sesquiterpenoids. These are sesquiterpenoids with a structure based either on the bicyclogermacrane (3,7,11,11-tetramethylbicyclo[8.1.0]undecane, 9CI) skeleton or the isolepidozane skeleton. Based on a literature review a significant number of articles have been published on Bicyclogermacrene. |
---|
Structure | C\C1=C\CC\C(C)=C/C2C(CC1)C2(C)C InChI=1S/C15H24/c1-11-6-5-7-12(2)10-14-13(9-8-11)15(14,3)4/h6,10,13-14H,5,7-9H2,1-4H3/b11-6-,12-10- |
---|
Synonyms | Value | Source |
---|
N(6)-(N-Threonylcarbonyl)adenosine | HMDB |
|
---|
Chemical Formula | C15H24 |
---|
Average Molecular Weight | 204.3511 |
---|
Monoisotopic Molecular Weight | 204.187800768 |
---|
IUPAC Name | (2Z,6Z)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene |
---|
Traditional Name | (2Z,6Z)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene |
---|
CAS Registry Number | 24703-35-3 |
---|
SMILES | C\C1=C\CC\C(C)=C/C2C(CC1)C2(C)C |
---|
InChI Identifier | InChI=1S/C15H24/c1-11-6-5-7-12(2)10-14-13(9-8-11)15(14,3)4/h6,10,13-14H,5,7-9H2,1-4H3/b11-6-,12-10- |
---|
InChI Key | VPDZRSSKICPUEY-SUYBHAEQSA-N |
---|
Chemical Taxonomy |
---|
Description | Belongs to the class of organic compounds known as bicyclogermacrane and isolepidozane sesquiterpenoids. These are sesquiterpenoids with a structure based either on the bicyclogermacrane (3,7,11,11-tetramethylbicyclo[8.1.0]Undecane, 9CI) skeleton or the isolepidozane skeleton. |
---|
Kingdom | Organic compounds |
---|
Super Class | Lipids and lipid-like molecules |
---|
Class | Prenol lipids |
---|
Sub Class | Sesquiterpenoids |
---|
Direct Parent | Bicyclogermacrane and isolepidozane sesquiterpenoids |
---|
Alternative Parents | |
---|
Substituents | - Bicyclogermacrane sesquiterpenoid
- Branched unsaturated hydrocarbon
- Polycyclic hydrocarbon
- Cyclic olefin
- Unsaturated aliphatic hydrocarbon
- Unsaturated hydrocarbon
- Olefin
- Hydrocarbon
- Aliphatic homopolycyclic compound
|
---|
Molecular Framework | Aliphatic homopolycyclic compounds |
---|
External Descriptors | Not Available |
---|
Ontology |
---|
Physiological effect | |
---|
Disposition | |
---|
Process | |
---|
Role | |
---|
Physical Properties |
---|
State | Not Available |
---|
Experimental Molecular Properties | |
---|
Experimental Chromatographic Properties | Not Available |
---|
Predicted Molecular Properties | |
---|
Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatized |
---|
| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
---|
Predicted GC-MS | Predicted GC-MS Spectrum - Bicyclogermacrene GC-MS (Non-derivatized) - 70eV, Positive | splash10-03di-1900000000-df419c5498786a94c8f4 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Bicyclogermacrene GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Bicyclogermacrene GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Bicyclogermacrene 10V, Positive-QTOF | splash10-0a4i-0290000000-216638dbc9bcc0fef59d | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Bicyclogermacrene 20V, Positive-QTOF | splash10-0a4i-3950000000-79ba6cb8f3b30df6ad42 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Bicyclogermacrene 40V, Positive-QTOF | splash10-014i-9700000000-3a75cef7802fad80da52 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Bicyclogermacrene 10V, Negative-QTOF | splash10-0udi-0090000000-9b6e63803a1d9e7a723d | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Bicyclogermacrene 20V, Negative-QTOF | splash10-0udi-0390000000-00526b8f3a27bdd8e099 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Bicyclogermacrene 40V, Negative-QTOF | splash10-01y9-1900000000-54c856e9a961651a0cfe | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Bicyclogermacrene 10V, Negative-QTOF | splash10-0udi-0090000000-7ccf03fa1149a1e9f55f | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Bicyclogermacrene 20V, Negative-QTOF | splash10-0udi-0090000000-7ccf03fa1149a1e9f55f | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Bicyclogermacrene 40V, Negative-QTOF | splash10-0udi-0090000000-0b1ac00c3b3c6c0a73b9 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Bicyclogermacrene 10V, Positive-QTOF | splash10-0a4i-0190000000-695c9202804f5c6577ea | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Bicyclogermacrene 20V, Positive-QTOF | splash10-0a4i-0490000000-8ad2959b26bbbbcf295b | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Bicyclogermacrene 40V, Positive-QTOF | splash10-0006-8900000000-80e416b8aa432948f8ed | 2021-09-25 | Wishart Lab | View Spectrum |
|
---|
General References | - Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
- Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
- Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
- Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
- Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.
|
---|