DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:01 UTC
Update Date	2025-03-25 00:45:46 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02151159
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₃N₅O₅
Molecular Mass	365.1699
SMILES	N=C(N)NCCCC(N=C(C(=O)O)C(N)Cc1ccc(O)cc1)C(=O)O
InChI Key	ZLQUKIJZUAOBCU-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	arginine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids dicarboxylic acids and derivatives guanidines hydrocarbon derivatives monoalkylamines organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary ketimines
Substituents	ketimine monocyclic benzene moiety carbonyl group carboxylic acid guanidine imine 1-hydroxy-2-unsubstituted benzenoid propargyl-type 1,3-dipolar organic compound secondary ketimine organic oxide arginine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives organic 1,3-dipolar compound carboximidamide aromatic homomonocyclic compound organic oxygen compound dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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