Octadecanoic acid, 2,3-bis[(1-oxohexadecyl)oxy]propyl ester (Q115971083)

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group of stereoisomers with the chemical formula C₅₃H₁₀₂O₆

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Language	Label	Description	Also known as
English	Octadecanoic acid, 2,3-bis[(1-oxohexadecyl)oxy]propyl ester	group of stereoisomers with the chemical formula C₅₃H₁₀₂O₆

Statements

instance of

group of stereoisomers

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subclass of

triglyceride

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mass

834.767640984 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₃H₁₀₂O₆

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canonical SMILES

O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC

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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/C53H102O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h50H,4-49H2,1-3H3

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InChIKey

DQKMNCLZNGAXNX-UHFFFAOYSA-N

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PubChem CID

91865524

2 references

stated in

PubChem

retrieved

3 January 2023

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

DQKMNCLZNGAXNX-UHFFFAOYSA-N

UniChem compound ID

33632033

1 reference

stated in

UniChem

DSSTox substance ID

DTXSID401347306

1 reference

matched by identifier from

InChIKey

InChIKey

DQKMNCLZNGAXNX-UHFFFAOYSA-N

 

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