DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:13:36 UTC
Update Date	2025-03-25 00:37:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02094295
Frequency	0.6
Structure
Chemical Formula	C₄₁H₅₇N₁₁O₁₀S₂
Molecular Mass	927.3731
SMILES	N=C(N)NCCCC(NC(=O)C1CCCCN1C(=O)C1CSSCC(N)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(Cc2ccccc2)C(=O)NC(CCC(N)=O)C(=O)N1)C(=O)O
InChI Key	FVOJITYNXMXYFQ-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	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids arginine and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids cyclic peptides fatty amides guanidines hydrocarbon derivatives imines lactams macrolactams monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpiperidines organic disulfides organic oxides organopnictogen compounds piperidinecarboxamides primary carboxylic acid amides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group lactam carboxylic acid aromatic heteromonocyclic compound guanidine imine fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives macrolactam organic oxide arginine or derivatives tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound piperidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid piperidinecarboxamide carboximidamide carboxamide group secondary carboxylic acid amide n-acyl-piperidine monocarboxylic acid or derivatives organic oxygen compound cyclic alpha peptide organic disulfide phenol hydrocarbon derivative benzenoid primary aliphatic amine alpha-oligopeptide organic nitrogen compound 2-piperidinecarboxamide organooxygen compound

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