DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:28 UTC
Update Date	2025-03-25 00:57:11 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02223263
Frequency	0.5
Structure
Chemical Formula	C₇H₁₀N₂O₄
Molecular Mass	186.0641
SMILES	NCC(O)=NC(=C=O)CCC(=O)O
InChI Key	HEBHPFHKJKJGIV-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	aliphatic acyclic compounds
Alternative Parents	carbonyl compounds carboximidic acids carboxylic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds short-chain hydroxy acids and derivatives ynolates
Substituents	aliphatic acyclic compound carboximidic acid carbonyl group carboxylic acid short-chain hydroxy acid gamma amino acid or derivatives organic 1,3-dipolar compound propargyl-type 1,3-dipolar organic compound organic oxide monocarboxylic acid or derivatives organic oxygen compound ynolate organonitrogen compound organopnictogen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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