CHEBI:33199 - propynoic acid

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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 0
Average Mass 70.04680
Monoisotopic Mass 70.005
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.
View more via ChEBI Ontology
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
Synonyms Sources
2-propynoic acid NIST Chemistry WebBook
Acetylenecarboxylic acid KEGG COMPOUND
acetylenic acid ChEBI
carboxyacetylene NIST Chemistry WebBook
HC≡CCOOH NIST Chemistry WebBook
propargylic acid NIST Chemistry WebBook
propinic acid ChEBI
Propinsäure ChEBI
Propiolic acid KEGG COMPOUND
Propiolsäure ChEBI
Manual Xrefs Databases
C00804 KEGG COMPOUND
HMDB0006804 HMDB
View more database links
Registry Numbers Types Sources
471-25-0 CAS Registry Number KEGG COMPOUND
471-25-0 CAS Registry Number ChemIDplus
471-25-0 CAS Registry Number NIST Chemistry WebBook
81893 Gmelin Registry Number Gmelin
878176 Reaxys Registry Number Reaxys
878176 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
10564044 PubMed citation Europe PMC
10814124 PubMed citation Europe PMC
11052721 PubMed citation Europe PMC
21443194 PubMed citation Europe PMC
Last Modified
23 June 2016