Butyl 3-hydroxy-2-methylidenebutanoate (CHEBI:171941)

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CHEBI:171941 - Butyl 3-hydroxy-2-methylidenebutanoate

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ChEBI ID	CHEBI:171941
ChEBI Name	Butyl 3-hydroxy-2-methylidenebutanoate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C9H16O3
Net Charge	0
Average Mass	172.224
Monoisotopic Mass	172.10994
SMILES	C=C(C(=O)OCCCC)C(C)O
InChI	InChI=1S/C9H16O3/c1-4-5-6-12-9(11)7(2)8(3)10/h8,10H,2,4-6H2,1,3H3
InChIKey	BGBNIHUXOLZWIB-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)
	blood plasma (BTO:0000131)	MetaboLights (MTBLS2128)
	Pooled sample (NCIT:C45910)	MetaboLights (MTBLS2128)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Butyl 3-hydroxy-2-methylidenebutanoate (CHEBI:171941) is a 3-hydroxy carboxylic acid (CHEBI:61355)

IUPAC Name
butyl 3-hydroxy-2-methylidenebutanoate

Manual Xrefs	Databases
493960	ChemSpider
HMDB0040202	HMDB