DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:41:43 UTC
Update Date	2025-03-25 01:09:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02296520
Frequency	0.5
Structure
Chemical Formula	C₄₅H₅₉N₉O₁₁
Molecular Mass	901.4334
SMILES	NCCCCC(NC(=O)C(Cc1ccccc1)NC(=O)C1CCCN1C(=O)C(CO)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(N)Cc1ccc(O)cc1)C(=O)O
InChI Key	ZKOQOJIHCHMPCO-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 amino fatty acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids fatty amides heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds peptides phenylalanine and derivatives primary alcohols proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides tyrosine and derivatives
Substituents	monocyclic benzene moiety carboxylic acid alpha-amino acid or derivatives medium-chain hydroxy acid alpha peptide organonitrogen compound alpha-amino acid hydroxy fatty acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol polypeptide tyrosine or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid n-substituted-alpha-amino acid secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives phenol hydrocarbon derivative primary aliphatic amine pyrrolidine-2-carboxamide fatty acyl carbonyl group aromatic heteromonocyclic compound heterocyclic fatty acid fatty amide n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid fatty acid carboxylic acid derivative organic oxide tertiary carboxylic acid amide organopnictogen compound medium-chain fatty acid pyrrolidine primary alcohol amphetamine or derivatives proline or derivatives carboxamide group amino fatty acid monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound benzenoid organic nitrogen compound organooxygen compound

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