DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 07:46:59 UTC
Update Date	2025-03-24 22:21:45 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01171096
Frequency	1.2
Structure
Chemical Formula	C₃₁H₄₉N₉O₁₈S₃
Molecular Mass	931.2358
SMILES	NC(CCC(=O)NC(CSCCC(NC(CSSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O
InChI Key	XRYPXVUWXRYQCC-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 dialkylthioethers glutamine and derivatives hexacarboxylic acids and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines organic oxides organopnictogen compounds 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 hexacarboxylic acid or derivatives n-acyl-alpha amino acid or derivatives secondary aliphatic amine sulfenyl compound alpha-amino acid amide n-acyl-alpha-amino acid dialkylthioether secondary amine carboxamide group n-acyl-amine n-acylglycine n-substituted-alpha-amino acid secondary carboxylic acid amide dialkyldisulfide organic oxygen compound thioether organic disulfide cysteine or derivatives hydrocarbon derivative primary aliphatic amine alpha-oligopeptide organic nitrogen compound organooxygen compound amine

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