DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:54 UTC
Update Date	2025-03-25 00:46:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02153242
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₃N₅O₇S
Molecular Mass	453.1318
SMILES	NC(=O)CCC(=O)NC(CSN=O)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)O
InChI Key	FALVBJAXQPCCOZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids cysteine and derivatives hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids nitrosothiols organic oxides organopnictogen compounds peptides phenylalanine and derivatives phenylpropanoic acids primary carboxylic acid amides secondary carboxylic acid amides sulfenyl compounds
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid fatty amide alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative alpha peptide nitrosothiol organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives organic s-nitroso compound n-acyl-alpha amino acid or derivatives polypeptide organic nitroso compound sulfenyl compound alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group n-acyl-amine n-substituted-alpha-amino acid aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound cysteine or derivatives hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound nitrosothiol-group

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