DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:17:01 UTC
Update Date	2025-03-25 00:59:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02240132
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₄N₄O₈
Molecular Mass	364.1594
SMILES	NC(CCCCNC(=C[N+](=O)[O-])NC1OC(CO)C(O)C1O)C(=O)O
InChI Key	YNYWCJAZODONAO-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 heteromonocyclic compounds
Alternative Parents	amino acids c-nitro compounds carbonyl compounds carboxylic acids dialkylamines fatty acyls heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monocarboxylic acids and derivatives monosaccharides nitro fatty acids organic oxides organic oxoanionic compounds organic oxoazanium compounds organopnictogen compounds oxacyclic compounds primary alcohols propargyl-type 1,3-dipolar organic compounds secondary alcohols tetrahydrofurans
Substituents	fatty acyl carbonyl group carboxylic acid amino acid heterocyclic fatty acid allyl-type 1,3-dipolar organic compound monosaccharide medium-chain hydroxy acid organic nitro compound propargyl-type 1,3-dipolar organic compound nitro fatty acid saccharide organic oxide c-nitro compound aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid organic oxoazanium primary alcohol organoheterocyclic compound alcohol secondary aliphatic amine tetrahydrofuran organic 1,3-dipolar compound secondary amine oxacycle monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine organic hyponitrite

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