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CHEBI:141186 - (2Z,4E)-4-amino-6-oxohepta-2,4-dienedioic acid

Default Structure
ChEBI IDCHEBI:141186
ChEBI Name(2Z,4E)-4-amino-6-oxohepta-2,4-dienedioic acid
Stars
ASCII Name(2Z,4E)-4-amino-6-oxohepta-2,4-dienedioic acid
DefinitionAn amino dicarboxylic acid that is 4-aminohepta-2,4-dienoic acid which is substituted at position 6 by an oxo group [the (2Z,4E) isomer].
Last Modified24 February 2022
SubmitterGareth Owen
DownloadsMolfile
FormulaC7H7NO5
Net Charge0
Average Mass185.135
Monoisotopic Mass185.03242
SMILESNC(/C=C\C(=O)O)=C/C(=O)C(=O)O
InChIInChI=1S/C7H7NO5/c8-4(1-2-6(10)11)3-5(9)7(12)13/h1-3H,8H2,(H,10,11)(H,12,13)/b2-1-,4-3+
InChIKeySGUXCHHLXDUUHD-BXTBVDPRSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(2Z,4E)-4-amino-6-oxohepta-2,4-dienedioic acid (CHEBI:141186) is a amino dicarboxylic acid (CHEBI:36164)
(2Z,4E)-4-amino-6-oxohepta-2,4-dienedioic acid (CHEBI:141186) is a dicarboxylic fatty acid (CHEBI:189840)
(2Z,4E)-4-amino-6-oxohepta-2,4-dienedioic acid (CHEBI:141186) is a enamine (CHEBI:47989)
(2Z,4E)-4-amino-6-oxohepta-2,4-dienedioic acid (CHEBI:141186) is a oxo dicarboxylic acid (CHEBI:36145)
(2Z,4E)-4-amino-6-oxohepta-2,4-dienedioic acid (CHEBI:141186) is conjugate acid of (2Z,4E)-4-amino-6-oxohepta-2,4-dienedioate (CHEBI:141047)
Incoming Relation(s)
(2Z,4E)-4-amino-6-oxohepta-2,4-dienedioate (CHEBI:141047) is conjugate base of (2Z,4E)-4-amino-6-oxohepta-2,4-dienedioic acid (CHEBI:141186)
IUPAC Name 
(2Z,4E)-4-amino-6-oxohepta-2,4-dienedioic acid
Registry NumbersSources
Reaxys:32861030Reaxys
Citations