DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:15 UTC
Update Date	2025-03-25 00:51:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02185912
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₁N₃O₄
Molecular Mass	331.1532
SMILES	O=C(CCCCn1ccnc1)NC(Cc1ccc(O)cc1)C(=O)O
InChI Key	ACBQBLYPLMHMDP-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	tyrosine and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids n-substituted imidazoles organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid fatty amide 1-hydroxy-2-unsubstituted benzenoid organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound amphetamine or derivatives azole n-substituted imidazole n-acyl-alpha amino acid or derivatives tyrosine or derivatives azacycle n-acyl-alpha-amino acid heteroaromatic compound carboxamide group n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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