DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:10 UTC
Update Date	2025-03-25 00:57:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02224804
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₅N₃O₆
Molecular Mass	367.1743
SMILES	NCCCCC(NCC(=O)NC(Cc1ccc(O)cc1)C(=O)O)C(=O)O
InChI Key	JOQILKRMTXINKG-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 homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amino acids amino fatty acids amphetamines and derivatives benzene and substituted derivatives carbocyclic fatty acids carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids secondary carboxylic acid amides tyrosine and derivatives
Substituents	fatty acyl carbocyclic fatty acid monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid amino acid or derivatives amino acid 1-hydroxy-2-unsubstituted benzenoid fatty acid alpha-amino acid or derivatives medium-chain hydroxy acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid amphetamine or derivatives n-acyl-alpha amino acid or derivatives secondary aliphatic amine tyrosine or derivatives alpha-amino acid amide n-acyl-alpha-amino acid secondary amine carboxamide group amino fatty acid n-substituted-alpha-amino acid aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound amine

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