DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:57 UTC
Update Date	2025-03-25 00:47:31 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02162305
Frequency	0.5
Structure
Chemical Formula	C₁₆H₁₆N₂O₉
Molecular Mass	380.0856
SMILES	O=C(O)CCC(NC(=O)c1ccc(N=C(CC(=O)O)C(=O)O)cc1)C(=O)O
InChI Key	WOWJAVZLOUDKCO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	glutamic acid and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids benzoyl derivatives carbonyl compounds carboxylic acids hippuric acids and derivatives hydrocarbon derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides secondary ketimines tetracarboxylic acids and derivatives
Substituents	ketimine monocyclic benzene moiety carbonyl group carboxylic acid imine benzoyl benzamide propargyl-type 1,3-dipolar organic compound secondary ketimine organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid hippuric acid or derivatives benzoic acid or derivatives tetracarboxylic acid or derivatives organic 1,3-dipolar compound glutamic acid or derivatives carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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