DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:01:43 UTC
Update Date	2025-03-25 00:54:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02205171
Frequency	0.5
Structure
Chemical Formula	C₂₈H₃₃N₅O₈S₃
Molecular Mass	663.1491
SMILES	NC1CSSCC(C(=O)NCC(=O)O)N=C(C(=O)O)CSC(Cc2ccccc2)NC(=O)C(Cc2ccc(O)cc2)NC1=O
InChI Key	NWUVTKJKOUTONG-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	cyclic peptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids acyl glycines alpha amino acids azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylthioethers dicarboxylic acids and derivatives dipeptides hydrocarbon derivatives ketimines lactams macrolactams monoalkylamines organic disulfides organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides thiohemiaminal derivatives
Substituents	ketimine monocyclic benzene moiety carbonyl group lactam carboxylic acid aromatic heteromonocyclic compound imine 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives macrolactam propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid hemithioaminal organopnictogen compound organoheterocyclic compound n-acyl-alpha amino acid or derivatives azacycle n-acyl-alpha-amino acid dialkylthioether organic 1,3-dipolar compound carboxamide group n-acylglycine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound cyclic alpha peptide thioether organic disulfide dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

Showing information for DMID02205171