Record Information |
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Version | 1.0 |
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Created at | 2022-09-06 05:17:38 UTC |
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Updated at | 2022-09-06 05:17:38 UTC |
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NP-MRD ID | NP0226304 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (2r)-n-[(2s,3r,4e,7e)-3,9-dihydroxy-9-methyl-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,7-dien-2-yl]-2-hydroxyoctadecanimidic acid |
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Description | Termitomycesphin d belongs to the class of organic compounds known as glycosyl-n-acylsphingosines. Glycosyl-N-acylsphingosines are compounds containing a sphingosine linked to a simple glucosyl moiety. Thus, termitomycesphin D is considered to be a neutral glycosphingolipid. (2r)-n-[(2s,3r,4e,7e)-3,9-dihydroxy-9-methyl-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,7-dien-2-yl]-2-hydroxyoctadecanimidic acid is found in Termitomyces albuminosus. It was first documented in 2001 (PMID: 11504654). Based on a literature review very few articles have been published on Termitomycesphin d. |
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Structure | CCCCCCCCCCCCCCCC[C@@H](O)C(O)=N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\C\C=C\C(C)(O)CCCCCCCCC InChI=1S/C43H81NO10/c1-4-6-8-10-12-13-14-15-16-17-18-19-21-24-29-36(47)41(51)44-34(33-53-42-40(50)39(49)38(48)37(32-45)54-42)35(46)28-25-23-27-31-43(3,52)30-26-22-20-11-9-7-5-2/h25,27-28,31,34-40,42,45-50,52H,4-24,26,29-30,32-33H2,1-3H3,(H,44,51)/b28-25+,31-27+/t34-,35+,36+,37+,38+,39-,40+,42+,43?/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C43H81NO10 |
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Average Mass | 772.1180 Da |
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Monoisotopic Mass | 771.58605 Da |
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IUPAC Name | (2R)-N-[(2S,3R,4E,7E)-3,9-dihydroxy-9-methyl-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,7-dien-2-yl]-2-hydroxyoctadecanimidic acid |
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Traditional Name | (2R)-N-[(2S,3R,4E,7E)-3,9-dihydroxy-9-methyl-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,7-dien-2-yl]-2-hydroxyoctadecanimidic acid |
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CAS Registry Number | Not Available |
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SMILES | CCCCCCCCCCCCCCCC[C@@H](O)C(O)=N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\C\C=C\C(C)(O)CCCCCCCCC |
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InChI Identifier | InChI=1S/C43H81NO10/c1-4-6-8-10-12-13-14-15-16-17-18-19-21-24-29-36(47)41(51)44-34(33-53-42-40(50)39(49)38(48)37(32-45)54-42)35(46)28-25-23-27-31-43(3,52)30-26-22-20-11-9-7-5-2/h25,27-28,31,34-40,42,45-50,52H,4-24,26,29-30,32-33H2,1-3H3,(H,44,51)/b28-25+,31-27+/t34-,35+,36+,37+,38+,39-,40+,42+,43?/m0/s1 |
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InChI Key | QAILYARUQKXWON-FLBUHPAXSA-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 glycosyl-n-acylsphingosines. Glycosyl-N-acylsphingosines are compounds containing a sphingosine linked to a simple glucosyl moiety. |
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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 | Glycosphingolipids |
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Direct Parent | Glycosyl-N-acylsphingosines |
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Alternative Parents | |
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Substituents | - Glycosyl-n-acylsphingosine
- Fatty acyl glycoside
- Fatty acyl glycoside of mono- or disaccharide
- Alkyl glycoside
- Hexose monosaccharide
- Glycosyl compound
- O-glycosyl compound
- Fatty amide
- Monosaccharide
- N-acyl-amine
- Oxane
- Fatty acyl
- Tertiary alcohol
- Secondary carboxylic acid amide
- Secondary alcohol
- Carboxamide group
- Organoheterocyclic compound
- Polyol
- Oxacycle
- Carboxylic acid derivative
- Acetal
- Carbonyl group
- Organic oxide
- Hydrocarbon derivative
- Organopnictogen compound
- Organic oxygen compound
- Alcohol
- Organonitrogen compound
- Organooxygen compound
- Organic nitrogen compound
- Primary alcohol
- Aliphatic heteromonocyclic compound
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Molecular Framework | Aliphatic heteromonocyclic 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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