propynoic acid (CHEBI:33199)

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ChEBI Name	propynoic acid

ChEBI ID	CHEBI:33199

Definition	A terminal acetylenic compound that is a 3-carbon, straight-chain, monounsaturated fatty acid having one acetylenic bond.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:8503, CHEBI:26303

Supplier Information

Download	Molfile XML SDF

Formula

C3H2O2

Net Charge

Average Mass

70.04680

Monoisotopic Mass

70.00548

InChI

InChI=1S/C3H2O2/c1-2-3(4)5/h1H,(H,4,5)

InChIKey

UORVCLMRJXCDCP-UHFFFAOYSA-N

SMILES

OC(=O)C#C

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

Biological Role(s):	xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound.

ChEBI Ontology
Outgoing	propynoic acid (CHEBI:33199) has role xenobiotic metabolite (CHEBI:76206) propynoic acid (CHEBI:33199) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020) propynoic acid (CHEBI:33199) is a acetylenic fatty acid (CHEBI:25380) propynoic acid (CHEBI:33199) is a monounsaturated fatty acid (CHEBI:25413) propynoic acid (CHEBI:33199) is a short-chain fatty acid (CHEBI:26666) propynoic acid (CHEBI:33199) is a terminal acetylenic compound (CHEBI:73477) propynoic acid (CHEBI:33199) is conjugate acid of propynoate (CHEBI:15364)

Incoming	phenylpropiolic acid (CHEBI:90355) has functional parent propynoic acid (CHEBI:33199) propynamide (CHEBI:51764) has functional parent propynoic acid (CHEBI:33199) propynoate (CHEBI:15364) is conjugate base of propynoic acid (CHEBI:33199)

IUPAC Name

prop-2-ynoic acid

Last Modified

23 June 2016