DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:24:57 UTC
Update Date	2025-03-21 18:38:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00122246
Frequency	21.2
Structure
Chemical Formula	C₂₅H₃₉N₇O₁₅S₂
Molecular Mass	741.1946
SMILES	NC(CCC(=O)NC(CSSCC(NC(=O)C(CCC(=O)O)NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O
InChI Key	QSLWFDWFBVWSPP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	acyl glycines alpha amino acid amides alpha amino acids carbonyl compounds carboxylic acids cysteine and derivatives dialkyldisulfides glutamic acid and derivatives glutamine and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds pentacarboxylic acids and derivatives peptides secondary carboxylic acid amides sulfenyl compounds
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives fatty amide alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative alpha peptide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives polypeptide sulfenyl compound alpha-amino acid amide n-acyl-alpha-amino acid glutamic acid or derivatives 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 organic nitrogen compound organooxygen compound

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