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

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

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ChEBI ID	CHEBI:181520
ChEBI Name	3-[(E)-Prop-1-enyl]pentanedioic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C8H12O4
Net Charge	0
Average Mass	172.180
Monoisotopic Mass	172.07356
SMILES	C/C=C/C(CC(=O)O)CC(=O)O
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

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	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

Manual Xrefs	Databases
29814870	ChemSpider