| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:54:01 UTC |
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| Update Date | 2020-04-22 15:10:38 UTC |
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| BMDB ID | BMDB0002318 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Capsianoside I |
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| Description | Capsianoside I belongs to the class of organic compounds known as sophorolipids. These are glycolipids containing a sophorose moiety linked glycosidically to the hydroxyl group of a 17-hydroxy-C18 saturated fatty acid. The carboxyl group of the fatty acid can be linked to the 4'-hydroxyl of the second glucose to form a lactone. Based on a literature review a small amount of articles have been published on Capsianoside I. |
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| Structure | |
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| Synonyms | | Value | Source |
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| Capsianside I | HMDB | | (2E,6E,10E)-14-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoate | Generator, HMDB |
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| Chemical Formula | C32H52O14 |
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| Average Molecular Weight | 660.7469 |
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| Monoisotopic Molecular Weight | 660.335706372 |
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| IUPAC Name | (2E,6E,10E)-14-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoic acid |
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| Traditional Name | capsianoside I |
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| CAS Registry Number | 121924-04-7 |
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| SMILES | C\C(CC\C=C(/C)CC(O)\C=C(/C)C(O)=O)=C/CCC(C)(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C=C |
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| InChI Identifier | InChI=1S/C32H52O14/c1-6-32(5,12-8-11-17(2)9-7-10-18(3)13-20(35)14-19(4)29(41)42)46-31-28(26(39)24(37)22(16-34)44-31)45-30-27(40)25(38)23(36)21(15-33)43-30/h6,10-11,14,20-28,30-31,33-40H,1,7-9,12-13,15-16H2,2-5H3,(H,41,42)/b17-11+,18-10+,19-14+ |
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| InChI Key | ISQUNAAALVXWGI-DFTZOVBQSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as sophorolipids. These are glycolipids containing a sophorose moiety linked glycosidically to the hydroxyl group of a 17-hydroxy-C18 saturated fatty acid. The carboxyl group of the fatty acid can be linked to the 4'-hydroxyl of the second glucose to form a lactone. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Fatty Acyls |
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| Sub Class | Fatty acyl glycosides |
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| Direct Parent | Sophorolipids |
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| Alternative Parents | |
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| Substituents | - Sophorolipid
- Diterpene glycoside
- Diterpenoid
- Terpene glycoside
- Long-chain fatty acid
- Disaccharide
- Glycosyl compound
- O-glycosyl compound
- Methyl-branched fatty acid
- Branched fatty acid
- Heterocyclic fatty acid
- Hydroxy fatty acid
- Fatty acid
- Unsaturated fatty acid
- Oxane
- Secondary alcohol
- Organoheterocyclic compound
- Oxacycle
- Polyol
- Carboxylic acid derivative
- Carboxylic acid
- Acetal
- Monocarboxylic acid or derivatives
- Primary alcohol
- Organic oxygen compound
- Organic oxide
- Alcohol
- Organooxygen compound
- Hydrocarbon derivative
- Carbonyl group
- Aliphatic heteromonocyclic compound
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| Molecular Framework | Aliphatic heteromonocyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Status | Expected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | - Cell membrane
- Cytoplasm
- Membrane
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| Physical Properties |
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| State | Solid |
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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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| Spectra |
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| Spectra | |
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