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	DMID02162310
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₁N₃O₈
Molecular Mass	395.1329
SMILES	O=C(O)CCC(NC(=O)c1ccc(NC(=O)CCNCC(=O)O)cc1)C(=O)O
InChI Key	SJHQOYVRYXHAJR-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	acylaminobenzoic acid and derivatives alpha amino acids amino acids anilides benzoyl derivatives beta amino acids and derivatives carbonyl compounds carboxylic acids dialkylamines hippuric acids and derivatives hydrocarbon derivatives n-acyl-alpha amino acids n-arylamides organic oxides organopnictogen compounds secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid benzoyl n-arylamide tricarboxylic acid or derivatives benzamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives secondary aliphatic amine acylaminobenzoic acid or derivatives n-acyl-alpha-amino acid hippuric acid or derivatives benzoic acid or derivatives glutamic acid or derivatives secondary amine carboxamide group beta amino acid or derivatives aromatic homomonocyclic compound anilide secondary carboxylic acid amide organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

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