Record Information |
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Version | 2.0 |
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Created at | 2022-09-05 20:48:13 UTC |
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Updated at | 2022-09-05 20:48:13 UTC |
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NP-MRD ID | NP0219710 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 2-hydroxy-n-(1,3,4-trihydroxyoctadecan-2-yl)nonacosanimidic acid |
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Description | 2-Hydroxy-N-(1,3,4-trihydroxyoctadecan-2-yl)nonacosanimidic acid belongs to the class of organic compounds known as phytoceramides. These are n-acylated 4-hydroxysphinganine. 2-hydroxy-n-(1,3,4-trihydroxyoctadecan-2-yl)nonacosanimidic acid is found in Porodaedalea pini. Based on a literature review very few articles have been published on 2-hydroxy-N-(1,3,4-trihydroxyoctadecan-2-yl)nonacosanimidic acid. |
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Structure | CCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCCCC InChI=1S/C47H95NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-45(51)47(53)48-43(42-49)46(52)44(50)40-38-36-34-32-30-16-14-12-10-8-6-4-2/h43-46,49-52H,3-42H2,1-2H3,(H,48,53) |
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Synonyms | Value | Source |
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2-Hydroxy-N-(1,3,4-trihydroxyoctadecan-2-yl)nonacosanimidate | Generator |
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Chemical Formula | C47H95NO5 |
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Average Mass | 754.2790 Da |
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Monoisotopic Mass | 753.72103 Da |
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IUPAC Name | 2-hydroxy-N-(1,3,4-trihydroxyoctadecan-2-yl)nonacosanimidic acid |
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Traditional Name | 2-hydroxy-N-(1,3,4-trihydroxyoctadecan-2-yl)nonacosanimidic acid |
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CAS Registry Number | Not Available |
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SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCCCC |
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InChI Identifier | InChI=1S/C47H95NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-45(51)47(53)48-43(42-49)46(52)44(50)40-38-36-34-32-30-16-14-12-10-8-6-4-2/h43-46,49-52H,3-42H2,1-2H3,(H,48,53) |
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InChI Key | XWMUTMUQIQRXHZ-UHFFFAOYSA-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 | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as phytoceramides. These are n-acylated 4-hydroxysphinganine. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Sphingolipids |
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Sub Class | Ceramides |
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Direct Parent | Phytoceramides |
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Alternative Parents | |
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Substituents | - N-acyl-4-hydroxysphinganine
- Fatty amide
- Monosaccharide
- N-acyl-amine
- Fatty acyl
- Carboxamide group
- Secondary carboxylic acid amide
- Secondary alcohol
- Polyol
- Carboxylic acid derivative
- Primary alcohol
- Organic nitrogen compound
- Organooxygen compound
- Organonitrogen compound
- Carbonyl group
- Alcohol
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic 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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