DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:32 UTC
Update Date	2025-03-25 00:45:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02152354
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₆N₄O₅
Molecular Mass	366.1903
SMILES	NC(CCCCNCC(=O)Nc1ccc(CC(N)C(=O)O)cc1)C(=O)O
InChI Key	IBGAREOYHMXJSY-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	phenylalanine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids amino fatty acids amphetamines and derivatives anilides carbocyclic fatty acids carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives hydrocarbon derivatives medium-chain fatty acids monoalkylamines n-arylamides organic oxides organopnictogen compounds phenylpropanoic acids secondary carboxylic acid amides
Substituents	fatty acyl carbocyclic fatty acid monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid amino acid fatty acid n-arylamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid amphetamine or derivatives secondary aliphatic amine alpha-amino acid amide secondary amine carboxamide group amino fatty acid aromatic homomonocyclic compound anilide secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound amine

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