| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-12 09:16:48 UTC |
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| Updated at | 2022-09-12 09:16:49 UTC |
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| NP-MRD ID | NP0327067 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | n-(3,4-dihydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}icos-10-en-2-yl)-2-hydroxytetracos-15-enimidic acid |
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| Description | N-(3,4-dihydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}icos-10-en-2-yl)-2-hydroxytetracos-15-enimidic acid belongs to the class of organic compounds known as glycosphingolipids. These are sphingolipids containing a saccharide moiety glycosidically attached to the sphingoid base. Although saccharide moieties are mostly O-glycosidically linked to the ceramide moiety, other sphingolipids with glycosidic bonds of other types (e.G. S-,C-, or N-type) has been reported. n-(3,4-dihydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}icos-10-en-2-yl)-2-hydroxytetracos-15-enimidic acid is found in Euphorbia nicaeensis. N-(3,4-dihydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}icos-10-en-2-yl)-2-hydroxytetracos-15-enimidic acid is an extremely weak basic (essentially neutral) compound (based on its pKa). |
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| Structure | CCCCCCCCCC=CCCCCCC(O)C(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)C(O)CCCCCCCCCCCCC=CCCCCCCCC InChI=1S/C50H95NO10/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-43(54)49(59)51-41(40-60-50-48(58)47(57)46(56)44(39-52)61-50)45(55)42(53)37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h17,19,25,27,41-48,50,52-58H,3-16,18,20-24,26,28-40H2,1-2H3,(H,51,59) |
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| Synonyms | | Value | Source |
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| N-(3,4-Dihydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}icos-10-en-2-yl)-2-hydroxytetracos-15-enimidate | Generator |
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| Chemical Formula | C50H95NO10 |
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| Average Mass | 870.3070 Da |
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| Monoisotopic Mass | 869.69560 Da |
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| IUPAC Name | N-(3,4-dihydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}icos-10-en-2-yl)-2-hydroxytetracos-15-enamide |
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| Traditional Name | N-(3,4-dihydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}icos-10-en-2-yl)-2-hydroxytetracos-15-enamide |
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| CAS Registry Number | Not Available |
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| SMILES | CCCCCCCCCC=CCCCCCC(O)C(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)C(O)CCCCCCCCCCCCC=CCCCCCCCC |
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| InChI Identifier | InChI=1S/C50H95NO10/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-43(54)49(59)51-41(40-60-50-48(58)47(57)46(56)44(39-52)61-50)45(55)42(53)37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h17,19,25,27,41-48,50,52-58H,3-16,18,20-24,26,28-40H2,1-2H3,(H,51,59) |
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| InChI Key | IBAOEUJGMGNWBC-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 glycosphingolipids. These are sphingolipids containing a saccharide moiety glycosidically attached to the sphingoid base. Although saccharide moieties are mostly O-glycosidically linked to the ceramide moiety, other sphingolipids with glycosidic bonds of other types (e.G. S-,C-, or N-type) has been reported. |
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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 | Glycosphingolipids |
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| Alternative Parents | |
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| Substituents | - Glycosphingolipid
- Fatty acyl glycoside
- Fatty acyl glycoside of mono- or disaccharide
- Alkyl glycoside
- Hexose monosaccharide
- Glycosyl compound
- O-glycosyl compound
- Monosaccharide
- Fatty acyl
- Oxane
- Secondary alcohol
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Organoheterocyclic compound
- Carboximidic acid
- Carboximidic acid derivative
- Oxacycle
- Acetal
- Polyol
- Hydrocarbon derivative
- Organic nitrogen compound
- Organic oxygen compound
- Alcohol
- Organonitrogen compound
- Organooxygen compound
- Organopnictogen 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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