Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-11 20:17:29 UTC |
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Update Date | 2022-03-07 02:54:28 UTC |
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HMDB ID | HMDB0035329 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Ganoderic acid Ma |
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Description | Ganoderic acid Ma, also known as ganoderate ma, belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Ganoderic acid Ma is an extremely weak basic (essentially neutral) compound (based on its pKa). |
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Structure | CC(CC\C=C(\C)C(O)=O)C1CC(O)C2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3OC(C)=O InChI=1S/C34H52O7/c1-19(11-10-12-20(2)30(38)39)24-17-27(37)34(9)29-23(13-16-33(24,34)8)32(7)15-14-28(41-22(4)36)31(5,6)26(32)18-25(29)40-21(3)35/h12,19,24-28,37H,10-11,13-18H2,1-9H3,(H,38,39)/b20-12- |
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Synonyms | Value | Source |
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Ganoderate ma | Generator | (2Z)-6-[5,9-Bis(acetyloxy)-12-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl]-2-methylhept-2-enoate | Generator |
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Chemical Formula | C34H52O7 |
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Average Molecular Weight | 572.7725 |
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Monoisotopic Molecular Weight | 572.371304018 |
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IUPAC Name | (2Z)-6-[5,9-bis(acetyloxy)-12-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl]-2-methylhept-2-enoic acid |
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Traditional Name | (2Z)-6-[5,9-bis(acetyloxy)-12-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl]-2-methylhept-2-enoic acid |
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CAS Registry Number | Not Available |
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SMILES | CC(CC\C=C(\C)C(O)=O)C1CC(O)C2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3OC(C)=O |
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InChI Identifier | InChI=1S/C34H52O7/c1-19(11-10-12-20(2)30(38)39)24-17-27(37)34(9)29-23(13-16-33(24,34)8)32(7)15-14-28(41-22(4)36)31(5,6)26(32)18-25(29)40-21(3)35/h12,19,24-28,37H,10-11,13-18H2,1-9H3,(H,38,39)/b20-12- |
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InChI Key | JBMVFHJFFZPAJI-NDENLUEZSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Prenol lipids |
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Sub Class | Triterpenoids |
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Direct Parent | Triterpenoids |
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Alternative Parents | Not Available |
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Substituents | Not Available |
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Molecular Framework | Aliphatic homopolycyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | |
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Role | |
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Physical Properties |
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State | Solid |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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Ganoderic acid Ma,1TMS,isomer #1 | CC(=O)OC1CC2C(C)(CCC(OC(C)=O)C2(C)C)C2=C1C1(C)C(O)CC(C(C)CC/C=C(/C)C(=O)O[Si](C)(C)C)C1(C)CC2 | 3969.6 | Semi standard non polar | 33892256 | Ganoderic acid Ma,1TMS,isomer #2 | CC(=O)OC1CC2C(C)(CCC(OC(C)=O)C2(C)C)C2=C1C1(C)C(O[Si](C)(C)C)CC(C(C)CC/C=C(/C)C(=O)O)C1(C)CC2 | 4046.6 | Semi standard non polar | 33892256 | Ganoderic acid Ma,2TMS,isomer #1 | CC(=O)OC1CC2C(C)(CCC(OC(C)=O)C2(C)C)C2=C1C1(C)C(O[Si](C)(C)C)CC(C(C)CC/C=C(/C)C(=O)O[Si](C)(C)C)C1(C)CC2 | 3861.0 | Semi standard non polar | 33892256 | Ganoderic acid Ma,1TBDMS,isomer #1 | CC(=O)OC1CC2C(C)(CCC(OC(C)=O)C2(C)C)C2=C1C1(C)C(O)CC(C(C)CC/C=C(/C)C(=O)O[Si](C)(C)C(C)(C)C)C1(C)CC2 | 4199.7 | Semi standard non polar | 33892256 | Ganoderic acid Ma,1TBDMS,isomer #2 | CC(=O)OC1CC2C(C)(CCC(OC(C)=O)C2(C)C)C2=C1C1(C)C(O[Si](C)(C)C(C)(C)C)CC(C(C)CC/C=C(/C)C(=O)O)C1(C)CC2 | 4289.5 | Semi standard non polar | 33892256 | Ganoderic acid Ma,2TBDMS,isomer #1 | CC(=O)OC1CC2C(C)(CCC(OC(C)=O)C2(C)C)C2=C1C1(C)C(O[Si](C)(C)C(C)(C)C)CC(C(C)CC/C=C(/C)C(=O)O[Si](C)(C)C(C)(C)C)C1(C)CC2 | 4333.0 | Semi standard non polar | 33892256 |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - Ganoderic acid Ma GC-MS (Non-derivatized) - 70eV, Positive | splash10-08fu-1101890000-28b2ad04084faf6c837f | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Ganoderic acid Ma GC-MS (1 TMS) - 70eV, Positive | splash10-003l-2002393000-b9c10407f485ae181fc2 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Ganoderic acid Ma GC-MS ("Ganoderic acid Ma,1TMS,#1" TMS) - 70eV, Positive | Not Available | 2021-10-14 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Ganoderic acid Ma GC-MS (TMS_1_2) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Ganoderic acid Ma GC-MS (TMS_2_1) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Ganoderic acid Ma GC-MS (TBDMS_1_1) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Ganoderic acid Ma GC-MS (TBDMS_1_2) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Ganoderic acid Ma GC-MS (TBDMS_2_1) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ganoderic acid Ma 10V, Positive-QTOF | splash10-0c0r-0000290000-8a85acf488bad294c099 | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ganoderic acid Ma 20V, Positive-QTOF | splash10-08fs-0000980000-acc0e58c9e9131963d8e | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ganoderic acid Ma 40V, Positive-QTOF | splash10-0api-1000920000-33e6ea8497fde035c623 | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ganoderic acid Ma 10V, Negative-QTOF | splash10-024i-0000090000-a124bccb5ddbf748a235 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ganoderic acid Ma 20V, Negative-QTOF | splash10-06vi-2000390000-325d1d6862218e74a27b | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ganoderic acid Ma 40V, Negative-QTOF | splash10-052r-6000950000-946a8c2e5bf58f95a5d2 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ganoderic acid Ma 10V, Positive-QTOF | splash10-00r2-9104860000-a5703c334145f6290908 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ganoderic acid Ma 20V, Positive-QTOF | splash10-00ke-9000420000-1a6a6ad2484573a986df | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ganoderic acid Ma 40V, Positive-QTOF | splash10-00kf-9102100000-83220718fa3b20a46e9b | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ganoderic acid Ma 10V, Negative-QTOF | splash10-0ab9-9000180000-a0da83d656b2462d5009 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ganoderic acid Ma 20V, Negative-QTOF | splash10-0a4i-9000210000-929e8140711be8afb6de | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ganoderic acid Ma 40V, Negative-QTOF | splash10-0a4l-9000230000-5a553be67dd43016b7aa | 2021-09-24 | Wishart Lab | View Spectrum |
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