DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:13:42 UTC
Update Date	2025-03-21 18:33:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00094882
Frequency	37.3
Structure
Chemical Formula	C₁₅H₂₃N₅O₄
Molecular Mass	337.175
SMILES	N=C(NCCCC(N)C(=O)O)NC(=O)C(N)Cc1ccc(O)cc1
InChI Key	HSKFSCQVESVBLD-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 homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amphetamines and derivatives arginine and derivatives 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
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid guanidine imine 1-hydroxy-2-unsubstituted benzenoid organic oxide arginine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives tyrosine or derivatives alpha-amino acid amide carboximidamide aromatic homomonocyclic compound monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

Showing information for DMID00094882