(Z)-3-(1-Formyl-1-propenyl)pentanedioic acid (CHEBI:168479)

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CHEBI:168479 - (Z)-3-(1-Formyl-1-propenyl)pentanedioic acid

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ChEBI ID	CHEBI:168479
ChEBI Name	(Z)-3-(1-Formyl-1-propenyl)pentanedioic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C9H12O5
Net Charge	0
Average Mass	200.190
Monoisotopic Mass	200.06847
SMILES	C/C=C(\C=O)C(CC(=O)O)CC(=O)O
InChI	InChI=1S/C9H12O5/c1-2-6(5-10)7(3-8(11)12)4-9(13)14/h2,5,7H,3-4H2,1H3,(H,11,12)(H,13,14)/b6-2+
InChIKey	IVZLDVMNNVAWDA-QHHAFSJGSA-N

Species of Metabolite	Component	Source	Comments
Malus domestica (ncbitaxon:3750)	exocarp (BTO:0000733)	MetaboLights (MTBLS2384)	Strain: Malus x domestica Borkh. cv. Ruixue

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	(Z)-3-(1-Formyl-1-propenyl)pentanedioic acid (CHEBI:168479) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name
3-[(Z)-1-oxobut-2-en-2-yl]pentanedioic acid

Manual Xrefs	Databases
HMDB0033091	HMDB
11394716	ChemSpider