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CHEBI:182779 - 2-[5-[2-[2-[5-(2-Oxopropyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic acid

Default Structure
ChEBI IDCHEBI:182779
ChEBI Name2-[5-[2-[2-[5-(2-Oxopropyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34O7
Net Charge0
Average Mass398.496
Monoisotopic Mass398.23045
SMILESCCC(CC1CCC(C(C)C(=O)O)O1)OC(=O)C(C)C1CCC(CC(C)=O)O1
InChIInChI=1S/C21H34O7/c1-5-15(11-17-7-8-18(27-17)13(3)20(23)24)28-21(25)14(4)19-9-6-16(26-19)10-12(2)22/h13-19H,5-11H2,1-4H3,(H,23,24)
InChIKeyXFNIQDLOQLIJTQ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-[5-[2-[2-[5-(2-Oxopropyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic acid (CHEBI:182779) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
2-[5-[2-[2-[5-(2-oxopropyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic acid
Manual XrefsDatabases
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