DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 08:49:10 UTC
Update Date	2025-03-25 00:25:49 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01321211
Frequency	1.0
Structure
Chemical Formula	C₄₄H₅₅N₁₁O₁₂S₂
Molecular Mass	993.3473
SMILES	N=C(O)CCC1NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(C(=O)NC(Cc2ccc(O)cc2)C(=O)NCC(N)=O)NC(=O)C(CC(=N)O)NC1=O
InChI Key	JIVCQSUXSCNFTM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboximidic acids carboxylic acids and derivatives cyclic peptides fatty amides hydrocarbon derivatives lactams macrolactams monoalkylamines n-acyl-alpha amino acids organic disulfides organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives primary carboxylic acid amides secondary carboxylic acid amides tyrosine and derivatives
Substituents	primary carboxylic acid amide fatty acyl carboximidic acid monocyclic benzene moiety carbonyl group lactam aromatic heteromonocyclic compound fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative macrolactam organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives polypeptide tyrosine or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboxamide group n-substituted-alpha-amino acid secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound cyclic alpha peptide organic disulfide phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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