Record Information |
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Version | 1.0 |
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Created at | 2022-03-17 21:03:18 UTC |
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Updated at | 2022-03-17 21:03:18 UTC |
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NP-MRD ID | NP0048858 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Ganolucidic acid E |
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Description | Ganolucidic acid E, also known as ganolucidate e, belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Ganolucidic acid E is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, ganolucidic acid e has been detected, but not quantified in, mushrooms. Ganolucidic acid E is found in Ganoderma lucidum . It was first documented in 2000 (PMID: 11413487). This could make ganolucidic acid e a potential biomarker for the consumption of these foods (PMID: 16902246) (PMID: 17374880) (PMID: 20044567). |
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Structure | CC(CC\C=C(\C)C(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3 InChI=1S/C30H44O5/c1-17(9-8-10-18(2)26(34)35)20-15-24(33)30(7)19-11-12-22-27(3,4)23(32)13-14-28(22,5)25(19)21(31)16-29(20,30)6/h10,17,20,22,24,33H,8-9,11-16H2,1-7H3,(H,34,35)/b18-10- |
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Synonyms | Value | Source |
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Ganolucidate e | Generator | 15alpha-Hydroxy-3,11-dioxo-5alpha-lanosta-8,24E-dien-26-Oic acid | HMDB | (2Z)-6-{12-hydroxy-2,6,6,11,15-pentamethyl-5,17-dioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}-2-methylhept-2-enoate | Generator |
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Chemical Formula | C30H44O5 |
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Average Mass | 484.6674 Da |
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Monoisotopic Mass | 484.31887 Da |
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IUPAC Name | (2Z)-6-{12-hydroxy-2,6,6,11,15-pentamethyl-5,17-dioxotetracyclo[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-{12-hydroxy-2,6,6,11,15-pentamethyl-5,17-dioxotetracyclo[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 | 114567-50-9 |
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SMILES | CC(CC\C=C(\C)C(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3 |
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InChI Identifier | InChI=1S/C30H44O5/c1-17(9-8-10-18(2)26(34)35)20-15-24(33)30(7)19-11-12-22-27(3,4)23(32)13-14-28(22,5)25(19)21(31)16-29(20,30)6/h10,17,20,22,24,33H,8-9,11-16H2,1-7H3,(H,34,35)/b18-10- |
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InChI Key | XRBLVCACUHPHDE-ZDLGFXPLSA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | Species Name | Source | Reference |
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Agaricus bisporus | FooDB | - Shmuel Yannai Dictionary of Food Compounds with CD-ROM: Additives, Flavors, and Ingredients. Chap...
| Ganoderma lucidum | Fungi | | Pleurotus ostreatus | FooDB | - Shmuel Yannai Dictionary of Food Compounds with CD-ROM: Additives, Flavors, and Ingredients. Chap...
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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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Physical Properties |
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State | Not Available |
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Experimental 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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Predicted Properties | |
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