CHEBI:35939 - pent-2-enoic acid

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name pent-2-enoic acid ChEBI ID CHEBI:35939 Definition A pentenoic acid having the double bond at position 2. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C5H8O2 Net Charge 0 Average Mass 100.11582 Monoisotopic Mass 100.05243 InChI InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7) InChIKey YIYBQIKDCADOSF-UHFFFAOYSA-N SMILES [H]C(CC)=CC(O)=O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing pent-2-enoic acid (CHEBI:35939) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020) pent-2-enoic acid (CHEBI:35939) is a pentenoic acid (CHEBI:25897) pent-2-enoic acid (CHEBI:35939) is conjugate acid of pent-2-enoate (CHEBI:231930) Incoming cis-acetylacrylic acid (CHEBI:28993) has functional parent pent-2-enoic acid (CHEBI:35939) ethyl (2E,4S)-4-[((2R)-2-{[N-(tert-butoxycarbonyl)-L-valyl]amino}-2-phenylethanoyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate (CHEBI:42367) has functional parent pent-2-enoic acid (CHEBI:35939) cis-pent-2-enoic acid (CHEBI:38367) is a pent-2-enoic acid (CHEBI:35939) trans-pent-2-enoic acid (CHEBI:38366) is a pent-2-enoic acid (CHEBI:35939) pent-2-enoate (CHEBI:231930) is conjugate base of pent-2-enoic acid (CHEBI:35939) IUPAC Name pent-2-enoic acid Synonyms Sources 2-pentenoic acid NIST Chemistry WebBook α-Butylen-α-carbonsäure ChEBI α-pentenoic acid ChEBI α.β-Pentensäure ChEBI β-Äthyl-acrylsäure ChEBI β-Äthylacrylsäure ChEBI β-ethyl acrylic acid LIPID MAPS C5:1, n-3 ChEBI Pent-2-ensäure ChEBI Propylidenessigsäure ChEBI Manual Xrefs Databases FDB010036 FooDB LMFA01030005 LIPID MAPS View more database links Registry Numbers Types Sources 1720310 Reaxys Registry Number Reaxys 626-98-2 CAS Registry Number ChemIDplus 626-98-2 CAS Registry Number NIST Chemistry WebBook Citations Types Sources 33485890 PubMed citation Europe PMC 34088089 PubMed citation Europe PMC 37237688 PubMed citation Europe PMC 37279800 PubMed citation Europe PMC Last Modified 13 September 2024