DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:38 UTC
Update Date	2025-03-25 00:51:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184473
Frequency	0.5
Structure
Chemical Formula	C₄₄H₅₅N₁₁O₉
Molecular Mass	881.4184
SMILES	NC(N)=NCCCC(NC(=O)C1CCCN1C(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(N)Cc1ccc(O)cc1)C(=O)O
InChI Key	HYNKPYKCPSWLCC-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 carboximidamides carboxylic acids fatty amides guanidines heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds peptides phenylalanine and derivatives proline and derivatives propargyl-type 1,3-dipolar organic compounds pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides tyrosine and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound guanidine fatty amide n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative alpha peptide propargyl-type 1,3-dipolar organic compound organic oxide imidazole tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound amphetamine or derivatives azole n-acyl-alpha amino acid or derivatives proline or derivatives polypeptide tyrosine or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound organic 1,3-dipolar compound carboximidamide 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 organooxygen compound

Showing information for DMID02184473