DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:29 UTC
Update Date	2025-03-25 00:50:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184112
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₉N₃O₆
Molecular Mass	277.1274
SMILES	NC(CCCCNC(CCC(=O)O)[N+](=O)[O-])C(=O)O
InChI Key	ZVDFHTFVKAPBQA-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-nitro compounds carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives hydrocarbon derivatives medium-chain fatty acids monoalkylamines nitro fatty acids organic oxides organic oxoanionic compounds organic oxoazanium compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid amino acid allyl-type 1,3-dipolar organic compound fatty acid organic nitro compound propargyl-type 1,3-dipolar organic compound nitro fatty acid organic oxide c-nitro compound organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid organic oxoazanium secondary aliphatic amine organic 1,3-dipolar compound secondary amine organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine organic hyponitrite

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