| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:25:15 UTC |
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| Update Date | 2020-04-22 15:18:21 UTC |
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| BMDB ID | BMDB0006728 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | CE(24:1) |
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| Description | CE(24:1) belongs to the class of organic compounds known as cholesteryl esters. Cholesteryl esters are compounds containing an esterified cholestane moiety. Thus, ce(24:1) is considered to be a sterol lipid molecule. CE(24:1) is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C51H90O2 |
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| Average Molecular Weight | 735.279 |
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| Monoisotopic Molecular Weight | 734.694082138 |
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| IUPAC Name | (1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl (5Z)-tetracos-5-enoate |
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| Traditional Name | (1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl (5Z)-tetracos-5-enoate |
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| CAS Registry Number | Not Available |
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| SMILES | [H]\C(CCCCCCCCCCCCCCCCCC)=C(/[H])CCCC(=O)O[C@@]1([H])CC[C@@]2(C)C(C1)=CC[C@@]1([H])[C@]3([H])CC[C@]([H])([C@]([H])(C)CCCC(C)C)[C@@]3(C)CC[C@]21[H] |
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| InChI Identifier | InChI=1S/C51H90O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-31-49(52)53-44-36-38-50(5)43(40-44)32-33-45-47-35-34-46(42(4)30-28-29-41(2)3)51(47,6)39-37-48(45)50/h24-25,32,41-42,44-48H,7-23,26-31,33-40H2,1-6H3/b25-24-/t42-,44+,45+,46-,47+,48+,50+,51-/m1/s1 |
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| InChI Key | XLEGDTNGSMQNCH-QFMUNDRCSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as cholesteryl esters. Cholesteryl esters are compounds containing an esterified cholestane moiety. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Steroids and steroid derivatives |
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| Sub Class | Steroid esters |
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| Direct Parent | Cholesteryl esters |
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| Alternative Parents | |
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| Substituents | - Cholesteryl ester
- Cholesterol
- Cholestane-skeleton
- Delta-5-steroid
- Carboxylic acid ester
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aliphatic homopolycyclic compound
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| Molecular Framework | Aliphatic homopolycyclic compounds |
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| External Descriptors | |
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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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