Oxalic acid, isobutyl neopentyl ester (CHEBI:229370)

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CHEBI:229370 - Oxalic acid, isobutyl neopentyl ester

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ChEBI ID	CHEBI:229370
ChEBI Name	Oxalic acid, isobutyl neopentyl ester
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C11H20O4
Net Charge	0
Average Mass	216.277
Monoisotopic Mass	216.13616
SMILES	CC(C)COC(=O)C(=O)OCC(C)(C)C
InChI	InChI=1S/C11H20O4/c1-8(2)6-14-9(12)10(13)15-7-11(3,4)5/h8H,6-7H2,1-5H3
InChIKey	YDBYGUVXKQJDOS-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Oryctolagus cuniculus (ncbitaxon:9986)	longissimus thoracis (BTO:0001651)	MetaboLights (MTBLS8958)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Oxalic acid, isobutyl neopentyl ester (CHEBI:229370) is a dicarboxylic acid (CHEBI:35692)

IUPAC Name
2-O-(2,2-dimethylpropyl) 1-O-(2-methylpropyl) oxalate

Manual Xrefs	Databases
4926344	ChemSpider