DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:37 UTC
Update Date	2025-03-25 00:51:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184426
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₅N₅O₅
Molecular Mass	379.1856
SMILES	NC(N)=NCCCC(=O)C(Cc1ccc(O)cc1)NC(=O)C(N)CC(=O)O
InChI Key	NFQQHHYHZPBBLH-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	aspartic acid and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amphetamines and derivatives benzene and substituted derivatives carboximidamides carboxylic acids guanidines hydrocarbon derivatives ketones monoalkylamines monocarboxylic acids and derivatives n-acyl amines organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid guanidine fatty amide 1-hydroxy-2-unsubstituted benzenoid propargyl-type 1,3-dipolar organic compound ketone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives alpha-amino acid amide organic 1,3-dipolar compound carboximidamide carboxamide group n-acyl-amine aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound aspartic acid or derivatives phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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