DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:27:46 UTC
Update Date	2025-03-21 18:40:11 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00128912
Frequency	19.8
Structure
Chemical Formula	C₂₀H₃₁N₅O₁₃S₂
Molecular Mass	613.136
SMILES	NC(CCC(=O)NC(CSSCC(NC(CCC(=O)O)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O
InChI Key	KDMYKLZRMVDSNW-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	oligopeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	acyl glycines alpha amino acid amides alpha amino acids amino acids carbonyl compounds carboxylic acids cysteine and derivatives dialkylamines dialkyldisulfides glutamic acid and derivatives glutamine and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines organic oxides organopnictogen compounds pentacarboxylic acids and derivatives secondary carboxylic acid amides sulfenyl compounds
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives amino acid or derivatives amino acid fatty amide alpha-amino acid or derivatives organosulfur compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives secondary aliphatic amine sulfenyl compound alpha-amino acid amide n-acyl-alpha-amino acid glutamic acid or derivatives secondary amine carboxamide group pentacarboxylic acid or derivatives n-acyl-amine n-acylglycine n-substituted-alpha-amino acid secondary carboxylic acid amide dialkyldisulfide organic oxygen compound organic disulfide cysteine or derivatives hydrocarbon derivative primary aliphatic amine alpha-oligopeptide organic nitrogen compound organooxygen compound amine

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