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CHEBI:229361 - Oxalic acid, hexyl neopentyl ester

Default Structure
ChEBI IDCHEBI:229361
ChEBI NameOxalic acid, hexyl neopentyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H24O4
Net Charge0
Average Mass244.331
Monoisotopic Mass244.16746
SMILESCCCCCCOC(=O)C(=O)OCC(C)(C)C
InChIInChI=1S/C13H24O4/c1-5-6-7-8-9-16-11(14)12(15)17-10-13(2,3)4/h5-10H2,1-4H3
InChIKeySTGLIRNVFNSAED-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryctolagus cuniculus (ncbitaxon:9986) longissimus thoracis (BTO:0001651) MetaboLights (MTBLS8958)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Oxalic acid, hexyl neopentyl ester (CHEBI:229361) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
2-O-(2,2-dimethylpropyl) 1-O-hexyl oxalate
Manual XrefsDatabases
4925949ChemSpider