DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:47:10 UTC
Update Date	2025-03-25 00:49:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02171979
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₇ClN₄O₃
Molecular Mass	312.0989
SMILES	CNC(=C[N+](=O)[O-])NCCCC(=O)Nc1ccc(Cl)cc1
InChI Key	NBQYNBWIWXWHGX-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	aromatic homomonocyclic compounds
Alternative Parents	anilides aryl chlorides c-nitro compounds carbonyl compounds carboxylic acids and derivatives chlorobenzenes dialkylamines fatty amides hydrocarbon derivatives n-arylamides organic oxides organic oxoanionic compounds organic oxoazanium compounds organochlorides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group gamma amino acid or derivatives organochloride allyl-type 1,3-dipolar organic compound fatty amide n-arylamide organohalogen compound organic nitro compound propargyl-type 1,3-dipolar organic compound organic oxide c-nitro compound organonitrogen compound organopnictogen compound organic oxoazanium aryl chloride chlorobenzene secondary aliphatic amine organic 1,3-dipolar compound secondary amine carboxamide group aryl halide aromatic homomonocyclic compound anilide secondary carboxylic acid amide organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound halobenzene organooxygen compound amine organic hyponitrite

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