3-[(E)-Prop-1-enyl]pentanedioic acid (CHEBI:181520)

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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	3-[(E)-Prop-1-enyl]pentanedioic acid

ChEBI ID	CHEBI:181520

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C8H12O4

Net Charge

Average Mass

172.180

Monoisotopic Mass

172.07356

InChI

InChI=1S/C8H12O4/c1-2-3-6(4-7(9)10)5-8(11)12/h2-3,6H,4-5H2,1H3,(H,9,10)(H,11,12)/b3-2+

InChIKey

MZNNPGRTALKBID-NSCUHMNNSA-N

SMILES

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

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	3-[(E)-Prop-1-enyl]pentanedioic acid (CHEBI:181520) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name

3-[(E)-prop-1-enyl]pentanedioic acid