DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:04:56 UTC
Update Date	2025-03-21 18:28:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00074004
Frequency	40.2
Structure
Chemical Formula	C₁₇H₂₀N₂O₇
Molecular Mass	364.1271
SMILES	O=C(O)CCC(NC(=O)c1ccc(NCC2CCC(=O)O2)cc1)C(=O)O
InChI Key	QQIPCXMZNMBNJS-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 amino acids benzoyl derivatives carbonyl compounds carboxylic acid esters carboxylic acids delta amino acids and derivatives gamma butyrolactones hippuric acids and derivatives hydrocarbon derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds oxacyclic compounds phenylalkylamines secondary alkylarylamines secondary carboxylic acid amides tetrahydrofurans tricarboxylic acids and derivatives
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid benzoyl tricarboxylic acid or derivatives benzamide lactone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound delta amino acid or derivatives organoheterocyclic compound n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid tetrahydrofuran hippuric acid or derivatives benzoic acid or derivatives glutamic acid or derivatives secondary amine carboxamide group gamma butyrolactone secondary aliphatic/aromatic amine oxacycle secondary carboxylic acid amide organic oxygen compound carboxylic acid ester phenylalkylamine hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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