DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 08:56:27 UTC
Update Date	2025-03-24 20:06:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01338931
Frequency	1.0
Structure
Chemical Formula	C₄₅H₅₄N₁₀O₁₁
Molecular Mass	910.3974
SMILES	NC(Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)NC(CO)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)O
InChI Key	ADTKSSZXWCLSTE-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 carboxylic acids fatty amides heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds peptides phenylalanine and derivatives phenylpropanoic acids primary alcohols proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides serine and derivatives tertiary carboxylic acid amides tyrosine and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid fatty amide n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide imidazole tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine primary alcohol organoheterocyclic compound amphetamine or derivatives azole n-acyl-alpha amino acid or derivatives proline or derivatives alcohol polypeptide tyrosine or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound carboxamide group n-substituted-alpha-amino acid secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide serine or derivatives organooxygen compound

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