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(Q115972088)
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English
[1-(15-Methylhexadecanoyloxy)-3-octadeca-9,12-dienoyloxypropan-2-yl] octadec-9-enoate
group of stereoisomers with the chemical formula C₅₆H₁₀₂O₆
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
870.767640984
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₅₆H₁₀₂O₆
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canonical SMILES
O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCC(C)C)CCCCCCCC=CCC=CCCCCC
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found in taxon
Caenorhabditis elegans
1 reference
stated in
A study of Caenorhabditis elegans DAF-2 mutants by metabolomics and differential correlation networks.
Identifiers
InChI
InChI=1S/C56H102O6/c1-5-7-9-11-13-15-17-19-21-23-27-31-35-39-43-47-54(57)60-50-53(51-61-55(58)48-44-40-36-32-29-25-26-30-34-38-42-46-52(3)4)62-56(59)49-45-41-37-33-28-24-22-20-18-16-14-12-10-8-6-2/h13,15,19-22,52-53H,5-12,14,16-18,23-51H2,1-4H3
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InChIKey
YCZDXXPSFLIESY-UHFFFAOYSA-N
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PubChem CID
163085705
1 reference
stated in
PubChem
retrieved
3 January 2023
based on heuristic
inferred from InChIKey
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