DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 06:33:18 UTC
Update Date	2025-03-24 17:52:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00994424
Frequency	1.4
Structure
Chemical Formula	C₅H₉N₃O₂
Molecular Mass	143.0695
SMILES	NC(=O)C1CNCC(O)=N1
InChI Key	GXTPSDNCCHAEMR-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	cyclic peptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acids azacyclic compounds beta amino acids and derivatives carbonyl compounds carboxylic acids and derivatives cyclic carboximidic acids dialkylamines hydrocarbon derivatives organic oxides organopnictogen compounds primary carboxylic acid amides propargyl-type 1,3-dipolar organic compounds
Substituents	primary carboxylic acid amide carbonyl group amino acid or derivatives alpha-amino acid or derivatives propargyl-type 1,3-dipolar organic compound organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound secondary aliphatic amine azacycle organic 1,3-dipolar compound secondary amine carboxamide group beta amino acid or derivatives organic oxygen compound cyclic alpha peptide hydrocarbon derivative organic nitrogen compound cyclic carboximidic acid organooxygen compound amine

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