DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:27:11 UTC
Update Date	2025-03-21 18:39:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00127499
Frequency	20.0
Structure
Chemical Formula	C₈H₁₅N₃O₄
Molecular Mass	217.1063
SMILES	CC(NC(=N)NCCCC(=O)O)C(=O)O
InChI Key	BSTLCKVFRBOCIX-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	alanine and derivatives alpha amino acids carbonyl compounds carboximidamides carboxylic acids dicarboxylic acids and derivatives fatty acids and conjugates guanidines hydrocarbon derivatives imines organic oxides organopnictogen compounds
Substituents	aliphatic acyclic compound carbonyl group carboxylic acid gamma amino acid or derivatives guanidine imine fatty acid alpha-amino acid or derivatives carboximidamide organic oxide organic oxygen compound organonitrogen compound alpha-amino acid dicarboxylic acid or derivatives organopnictogen compound alanine or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound

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