DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:07:15 UTC
Update Date	2025-03-25 00:56:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02218078
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₂N₄O₂
Molecular Mass	254.1743
SMILES	N=C(N)N1CC(CCCCC(=O)O)C2NCCC21
InChI Key	ZGQGXIGQUVVDHP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	fatty acyls
Subclass	fatty acids and conjugates
Direct Parent	medium-chain fatty acids
Geometric Descriptor	aliphatic heteropolycyclic compounds
Alternative Parents	amino acids amino fatty acids azacyclic compounds carbonyl compounds carboximidamides carboxylic acids dialkylamines guanidines heterocyclic fatty acids hydrocarbon derivatives imines monocarboxylic acids and derivatives organic oxides organopnictogen compounds pyrrolidines
Substituents	carbonyl group carboxylic acid amino acid or derivatives amino acid heterocyclic fatty acid guanidine imine carboxylic acid derivative aliphatic heteropolycyclic compound organic oxide organonitrogen compound organopnictogen compound medium-chain fatty acid pyrrolidine organoheterocyclic compound secondary aliphatic amine azacycle carboximidamide secondary amine amino fatty acid monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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