DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:14:22 UTC
Update Date	2025-03-25 00:58:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02234142
Frequency	0.5
Structure
Chemical Formula	C₁₁H₂₃N₅O₃
Molecular Mass	273.1801
SMILES	CC(=O)NCCCNCCCCNC(N)=C[N+](=O)[O-]
InChI Key	MMBXVEDVMCBGHV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	carboxylic acid derivatives
Direct Parent	acetamides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	amino acids and derivatives c-nitro compounds carbonyl compounds carboxylic acids and derivatives dialkylamines hydrocarbon derivatives monoalkylamines organic oxides organic oxoanionic compounds organic oxoazanium compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides
Substituents	aliphatic acyclic compound carbonyl group amino acid or derivatives allyl-type 1,3-dipolar organic compound organic nitro compound propargyl-type 1,3-dipolar organic compound organic oxide c-nitro compound organonitrogen compound organopnictogen compound organic oxoazanium acetamide secondary aliphatic amine organic 1,3-dipolar compound secondary amine secondary carboxylic acid amide organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine organic hyponitrite

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