DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:03:17 UTC
Update Date	2025-03-21 18:28:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00070002
Frequency	48.4
Structure
Chemical Formula	C₈H₁₆N₄O₃S
Molecular Mass	248.0943
SMILES	N=C(N)NCCCC(=O)NC(CS)C(=O)O
InChI Key	NVZUJKHTWJIEMK-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	n-acyl-alpha amino acids
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alkylthiols alpha amino acids carbonyl compounds carboximidamides carboxylic acids cysteine and derivatives gamma amino acids and derivatives guanidines hydrocarbon derivatives imines monocarboxylic acids and derivatives n-acyl amines organic oxides organopnictogen compounds organosulfur compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid gamma amino acid or derivatives guanidine imine fatty amide organosulfur compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha-amino acid carboximidamide carboxamide group n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound cysteine or derivatives hydrocarbon derivative organic nitrogen compound alkylthiol organooxygen compound

Showing information for DMID00070002