DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:49:33 UTC
Update Date	2025-03-25 00:49:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02177498
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₈N₆O
Molecular Mass	238.1542
SMILES	Cn1cncc1CNC(=O)CCCNC(=N)N
InChI Key	KNGMSFPDCBBXJZ-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	gamma amino acids and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	azacyclic compounds carbonyl compounds carboximidamides carboxylic acids and derivatives guanidines heteroaromatic compounds hydrocarbon derivatives imidazoles imines n-acyl amines n-substituted imidazoles organic oxides organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl carbonyl group aromatic heteromonocyclic compound gamma amino acid or derivatives guanidine imine fatty amide organic oxide imidazole organonitrogen compound organopnictogen compound organoheterocyclic compound azole n-substituted imidazole azacycle heteroaromatic compound carboximidamide carboxamide group n-acyl-amine secondary carboxylic acid amide organic oxygen compound hydrocarbon derivative organic nitrogen compound organooxygen compound

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