DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 10:53:51 UTC
Update Date	2025-03-24 20:56:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01618733
Frequency	0.8
Structure
Chemical Formula	C₄₇H₆₈N₁₄O₉
Molecular Mass	972.5294
SMILES	N=C(N)NCCCC(N)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NCC(Cc1ccccc1)NC(Cc1ccccc1)C(=O)NC(=O)C(=O)N1CCCC1C(=O)NC(CCCNC(=N)N)C(=O)O
InChI Key	YLNNIPAXPTZWKD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids amphetamines and derivatives arginine and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids dialkylamines dicarboximides guanidines hydrocarbon derivatives imines monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines n-unsubstituted carboxylic acid imides organic oxides organopnictogen compounds peptides phenylalanine and derivatives proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid guanidine imine n-acylpyrrolidine alpha-amino acid or derivatives carboxylic acid derivative alpha peptide carboxylic acid imide, n-unsubstituted organic oxide arginine or derivatives tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound dicarboximide pyrrolidine organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives proline or derivatives secondary aliphatic amine polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboximidamide secondary amine carboxamide group n-substituted-alpha-amino acid carboxylic acid imide 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 organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound amine

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