CHEBI:48061 - 2-oxohept-3-enedioic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-oxohept-3-enedioic acid
ChEBI ID CHEBI:48061
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C7H8O5
Net Charge 0
Average Mass 172.13542
Monoisotopic Mass 172.03717
InChI InChI=1S/C7H8O5/c8-5(7(11)12)3-1-2-4-6(9)10/h1,3H,2,4H2,(H,9,10)(H,11,12)
InChIKey HYVSZVZMTYIHKF-UHFFFAOYSA-N
SMILES [H]C(CCC(O)=O)=C([H])C(=O)C(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 2-oxohept-3-enedioic acid (CHEBI:48061) is a heptenedioic acid (CHEBI:24522)
2-oxohept-3-enedioic acid (CHEBI:48061) is conjugate acid of 2-oxohept-3-enedioate (CHEBI:17205)
Incoming cis-2-oxohept-3-enedioic acid (CHEBI:1254) is a 2-oxohept-3-enedioic acid (CHEBI:48061)
trans-2-oxohept-3-enedioic acid (CHEBI:48062) is a 2-oxohept-3-enedioic acid (CHEBI:48061)
2-oxohept-3-enedioate (CHEBI:17205) is conjugate base of 2-oxohept-3-enedioic acid (CHEBI:48061)
IUPAC Name
2-oxohept-3-enedioic acid
Last Modified
19 December 2007