DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:47 UTC
Update Date	2025-03-25 00:51:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184809
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₀N₄O₄
Molecular Mass	320.1485
SMILES	N=C(NC(=O)C(N)Cc1ccc(O)cc1)N1CCCC1C(=O)O
InChI Key	NYBVMITZCYVADY-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 acid amides alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids guanidines hydrocarbon derivatives imines monoalkylamines monocarboxylic acids and derivatives organic oxides organopnictogen compounds phenylalanine and derivatives proline and derivatives pyrrolidine carboxylic acids
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound guanidine imine 1-hydroxy-2-unsubstituted benzenoid organic oxide pyrrolidine carboxylic acid organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound amphetamine or derivatives proline or derivatives tyrosine or derivatives alpha-amino acid amide azacycle carboximidamide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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