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	DMID02162304
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₆N₄O₇
Molecular Mass	364.1019
SMILES	O=C(O)CCC(NC(=O)c1ccc(N2N=NCC2C(=O)O)cc1)C(=O)O
InChI Key	AEMUMPHHXOSUST-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 heteromonocyclic compounds
Alternative Parents	alpha amino acids azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids hippuric acids and derivatives hydrocarbon derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides triazolines tricarboxylic acids and derivatives
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound benzoyl tricarboxylic acid or derivatives benzamide propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound n-acyl-alpha amino acid or derivatives azacycle n-acyl-alpha-amino acid hippuric acid or derivatives triazoline benzoic acid or derivatives organic 1,3-dipolar compound glutamic acid or derivatives carboxamide group secondary carboxylic acid amide organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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