DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:51:03 UTC
Update Date	2025-03-25 00:50:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02180921
Frequency	0.5
Structure
Chemical Formula	C₇H₁₂N₂O₆
Molecular Mass	220.0695
SMILES	O=C(O)CCC(C[N+](=O)[O-])NCC(=O)O
InChI Key	JVMZBQXDMSXOIF-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	alpha amino acids amino acids c-nitro compounds carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives hydrocarbon derivatives 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 gamma amino acid or derivatives allyl-type 1,3-dipolar organic compound fatty acid alpha-amino acid or derivatives 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 organic oxoazanium secondary aliphatic amine organic 1,3-dipolar compound secondary amine organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound amine organic hyponitrite

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