DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:42:32 UTC
Update Date	2025-03-25 01:09:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02298421
Frequency	0.5
Structure
Chemical Formula	C₄₄H₆₁N₁₁O₁₀
Molecular Mass	903.4603
SMILES	N=C(N)NCCCC(NC(=O)C(Cc1ccccc1)NC(=O)C1CCCN1C(=O)C(CO)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C1CCCN1C(=O)C1CCCN1)C(=O)O
InChI Key	ZZHVXIPXTCBVBE-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 fatty amides guanidines hydrocarbon derivatives imines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds peptides phenylalanine and derivatives primary alcohols proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid guanidine imine fatty amide n-acylpyrrolidine alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide arginine or derivatives tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine primary alcohol organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives proline or derivatives alcohol secondary aliphatic amine polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboximidamide secondary amine 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 organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound amine

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