DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 10:37:52 UTC
Update Date	2025-03-24 20:50:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01581438
Frequency	0.8
Structure
Chemical Formula	C₅₅H₇₅N₁₅O₁₁
Molecular Mass	1121.577
SMILES	N=C(N)NCCCC(N)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(CO)C(=O)N1Cc2ccccc2CC1C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(=N)N)C(=O)O
InChI Key	RIPWBMWXMLAVIE-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 heteropolycyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amphetamines and derivatives arginine and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids fatty amides guanidines hydrocarbon derivatives imines monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds phenylalanine and derivatives primary alcohols proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides tetrahydroisoquinolines
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid guanidine imine fatty amide n-acylpyrrolidine alpha-amino acid or derivatives organic oxide aromatic heteropolycyclic compound arginine or derivatives tertiary carboxylic acid amide organonitrogen compound tetrahydroisoquinoline alpha-amino acid organopnictogen compound pyrrolidine primary alcohol organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives proline or derivatives alcohol alpha-amino acid amide azacycle n-acyl-alpha-amino acid 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 hydrocarbon derivative benzenoid primary aliphatic amine alpha-oligopeptide organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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