DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:54 UTC
Update Date	2025-03-25 00:46:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02153234
Frequency	0.5
Structure
Chemical Formula	C₈H₁₆N₄O₃S
Molecular Mass	248.0943
SMILES	NC(=O)CCC(N)C(N)=NC(CS)C(=O)O
InChI Key	FEADHNFQEFRXIT-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	delta amino acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alkylthiols alpha amino acids amidines carbonyl compounds carboximidamides carboxylic acids cysteine and derivatives fatty amides gamma amino acids and derivatives hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organopnictogen compounds organosulfur compounds primary carboxylic acid amides propargyl-type 1,3-dipolar organic compounds
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid gamma amino acid or derivatives fatty amide alpha-amino acid or derivatives amidine organosulfur compound propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound delta amino acid or derivatives organic 1,3-dipolar compound carboximidamide carboxamide group monocarboxylic acid or derivatives organic oxygen compound cysteine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound alkylthiol organooxygen compound

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