CHEBI:181656 - 2-[5-[2-[2-[5-(2-Hydroxybutyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic acid

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ChEBI Name 2-[5-[2-[2-[5-(2-Hydroxybutyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic acid
ChEBI ID CHEBI:181656
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H38O7
Net Charge 0
Average Mass 414.539
Monoisotopic Mass 414.26175
InChI InChI=1S/C22H38O7/c1-5-15(23)11-17-7-10-20(27-17)14(4)22(26)29-16(6-2)12-18-8-9-19(28-18)13(3)21(24)25/h13-20,23H,5-12H2,1-4H3,(H,24,25)
InChIKey WGVQPPKZKAJDGR-UHFFFAOYSA-N
SMILES O1C(CCC1CC(O)CC)C(C(OC(CC2OC(CC2)C(C)C(O)=O)CC)=O)C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-[5-[2-[2-[5-(2-Hydroxybutyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic acid (CHEBI:181656) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name
2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic acid
Manual Xref Database
22369698 ChemSpider
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