DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:41:08 UTC
Update Date	2025-03-25 00:46:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02158310
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₅N₃O₇
Molecular Mass	407.1692
SMILES	O=C(O)CNC(CCN1CCC1C(=O)O)C(=O)NC(Cc1ccccc1)C(=O)O
InChI Key	QCITUFOJTVEPHU-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	dipeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids amphetamines and derivatives azacyclic compounds azetidinecarboxylic acids azetidines benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylamines hydrocarbon derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids secondary carboxylic acid amides trialkylamines tricarboxylic acids and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid amino acid or derivatives amino acid fatty amide azetidinecarboxylic acid tricarboxylic acid or derivatives alpha-amino acid or derivatives organic oxide alpha-amino acid organonitrogen compound organopnictogen compound tertiary amine organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives secondary aliphatic amine alpha-amino acid amide azacycle n-acyl-alpha-amino acid tertiary aliphatic amine secondary amine carboxamide group n-acyl-amine n-substituted-alpha-amino acid azetidine alpha-dipeptide secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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