DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:12:50 UTC
Update Date	2025-03-25 00:58:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02230596
Frequency	0.5
Structure
Chemical Formula	C₁₀H₂₀N₄O₃S
Molecular Mass	276.1256
SMILES	CNC(=C[N+](=O)[O-])NCCSCCCNC(C)=O
InChI Key	YKSXRYNFJYIWSG-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 dialkylthioethers hydrocarbon derivatives organic oxides organic oxoanionic compounds organic oxoazanium compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides sulfenyl compounds
Substituents	aliphatic acyclic compound carbonyl group amino acid or derivatives allyl-type 1,3-dipolar organic compound organosulfur 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 sulfenyl compound dialkylthioether organic 1,3-dipolar compound secondary amine secondary carboxylic acid amide organic oxygen compound thioether hydrocarbon derivative organic nitrogen compound organooxygen compound amine organic hyponitrite

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