DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:40:07 UTC
Update Date	2025-03-25 00:46:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02156078
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₃N₅O₅S
Molecular Mass	349.142
SMILES	CSCCC(NC(=O)NC(CCCNC(=N)N)C(=O)O)C(=O)O
InChI Key	HFHWJZNQWYGLLV-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	arginine and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids carbonyl compounds carboximidamides carboxylic acids dialkylthioethers dicarboxylic acids and derivatives guanidines hydrocarbon derivatives imines methionine and derivatives n-carbamoyl-alpha amino acids organic carbonic acids and derivatives organic oxides organopnictogen compounds sulfenyl compounds thia fatty acids
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid guanidine imine fatty acid organosulfur compound organic oxide arginine or derivatives n-carbamoyl-alpha-amino acid or derivatives organonitrogen compound alpha-amino acid organopnictogen compound carbonic acid derivative sulfenyl compound dialkylthioether n-carbamoyl-alpha-amino acid carboximidamide thia fatty acid organic oxygen compound thioether methionine or derivatives dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound

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