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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	(Z)-3-(1-Formyl-1-propenyl)pentanedioic acid

ChEBI ID	CHEBI:168479

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C9H12O5

Net Charge

Average Mass

200.190

Monoisotopic Mass

200.06847

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

SMILES

OC(=O)CC(CC(O)=O)/C(=C/C)/C=O

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	(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