2-(3-carboxy-2-hydroxypropyl)-3-methyl-2-cyclopentenone (CHEBI:205259)

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CHEBI:205259 - 2-(3-carboxy-2-hydroxypropyl)-3-methyl-2-cyclopentenone

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ChEBI ID	CHEBI:205259
ChEBI Name	2-(3-carboxy-2-hydroxypropyl)-3-methyl-2-cyclopentenone
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C10H14O4
Net Charge	0
Average Mass	198.218
Monoisotopic Mass	198.08921
SMILES	CC1=C(C[C@@H](O)CC(=O)O)C(=O)CC1
InChI	InChI=1S/C10H14O4/c1-6-2-3-9(12)8(6)4-7(11)5-10(13)14/h7,11H,2-5H2,1H3,(H,13,14)/t7-/m1/s1
InChIKey	KHOGFVBKFSKLTN-SSDOTTSWSA-N

Species of Metabolite	Component	Source	Comments
Cordyceps cicadae (ncbitaxon:218633)	-	PubMed (18305360)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	2-(3-carboxy-2-hydroxypropyl)-3-methyl-2-cyclopentenone (CHEBI:205259) is a 3-hydroxy carboxylic acid (CHEBI:61355)

IUPAC Name
3-hydroxy-4-(2-methyl-5-oxocyclopenten-1-yl)butanoic acid

Manual Xrefs	Databases
28285007	ChemSpider