CHEBI:18003 - 2-hydroxy-3-(3-oxoprop-1-enyl)but-2-enedioic acid

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ChEBI Name 2-hydroxy-3-(3-oxoprop-1-enyl)but-2-enedioic acid ChEBI ID CHEBI:18003 Definition A carboxy-2-hydroxymuconate semialdehyde having the carboxy group at the 3-position. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:11762, CHEBI:1465, CHEBI:19973 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 C7H6O6 Net Charge 0 Average Mass 186.11894 Monoisotopic Mass 186.01644 InChI InChI=1S/C7H6O6/c8-3-1-2-4(6(10)11)5(9)7(12)13/h1-3,9H,(H,10,11)(H,12,13)/b2-1+,5-4- InChIKey QTJJMXJJLLAWNP-OMUGJNSGSA-N SMILES [H]C(=O)\C=C\C(C(O)=O)=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-hydroxy-3-(3-oxoprop-1-enyl)but-2-enedioic acid (CHEBI:18003) is a carboxy-2-hydroxymuconate semialdehyde (CHEBI:23022) 2-hydroxy-3-(3-oxoprop-1-enyl)but-2-enedioic acid (CHEBI:18003) is conjugate acid of 2-hydroxy-3-(3-oxoprop-1-enyl)but-2-enedioate (CHEBI:58346) Incoming 2-hydroxy-3-(3-oxoprop-1-enyl)but-2-enedioate (CHEBI:58346) is conjugate base of 2-hydroxy-3-(3-oxoprop-1-enyl)but-2-enedioic acid (CHEBI:18003) IUPAC Name 2-hydroxy-3-(3-oxoprop-1-enyl)but-2-enedioic acid Synonym Source 3-Carboxy-2-hydroxymuconate semialdehyde KEGG COMPOUND Manual Xref Database C04480 KEGG COMPOUND View more database links Last Modified 04 August 2014