DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:45:31 UTC
Update Date	2025-03-25 01:10:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02305352
Frequency	0.5
Structure
Chemical Formula	C₄₆H₆₅N₁₅O₁₂S₄
Molecular Mass	1147.382
SMILES	N=C(O)CCC1NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(C(=O)N2CCSSCC2C(=O)NC(CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)C(CC(=N)O)NC1=O
InChI Key	ZRSYOLAOPCAYRR-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 carboximidic acids carboxylic acids and derivatives cyclic peptides guanidines hydrocarbon derivatives imines lactams macrolactams monoalkylamines n-acyl amines n-acyl-alpha amino acids organic disulfides organic oxides organopnictogen compounds primary carboxylic acid amides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl carboximidic acid monocyclic benzene moiety carbonyl group lactam 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 organoheterocyclic compound n-acyl-alpha amino acid or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboximidamide carboxamide group n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide organic oxygen compound cyclic alpha peptide organic disulfide phenol hydrocarbon derivative benzenoid primary aliphatic amine alpha-oligopeptide organic nitrogen compound organooxygen compound

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