DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:05:22 UTC
Update Date	2025-03-25 00:55:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02213778
Frequency	0.5
Structure
Chemical Formula	C₇H₁₆N₄O₃
Molecular Mass	204.1222
SMILES	CNC(N=O)NCCCC(N)C(=O)O
InChI Key	JPLQXRSRWFRQGP-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	alpha amino acids
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	amino acids c-nitroso compounds carbonyl compounds carboxylic acids dialkylamines fatty acids and conjugates hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organopnictogen compounds ortho amides orthocarboxylic acid derivatives propargyl-type 1,3-dipolar organic compounds
Substituents	aliphatic acyclic compound carbonyl group carboxylic acid ortho amide amino acid fatty acid propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound orthocarboxylic acid derivative secondary aliphatic amine organic nitroso compound organic 1,3-dipolar compound secondary amine monocarboxylic acid or derivatives organic oxygen compound c-nitroso compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

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