DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:16:46 UTC
Update Date	2025-03-21 18:34:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00102391
Frequency	26.6
Structure
Chemical Formula	C₁₀H₁₈N₄O₆S
Molecular Mass	322.0947
SMILES	NC(CCCNC(CSN=O)C(=O)NCC(=O)O)C(=O)O
InChI Key	RZWXVYXTBXFVHQ-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	acyl glycines
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids carbonyl compounds carboxylic acids cysteine and derivatives dialkylamines dicarboxylic acids and derivatives dipeptides fatty acids and conjugates hydrocarbon derivatives monoalkylamines nitrosothiols organic oxides organopnictogen compounds secondary carboxylic acid amides sulfenyl compounds
Substituents	aliphatic acyclic compound carbonyl group carboxylic acid amino acid fatty acid organosulfur compound alpha peptide nitrosothiol organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic s-nitroso compound secondary aliphatic amine organic nitroso compound sulfenyl compound alpha-amino acid amide secondary amine carboxamide group n-acylglycine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound cysteine or derivatives dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine nitrosothiol-group

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