DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 05:59:25 UTC
Update Date	2025-03-24 16:36:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00912947
Frequency	1.6
Structure
Chemical Formula	C₄₄H₆₁N₁₁O₁₀
Molecular Mass	903.4603
SMILES	N=C(N)NCCCC(N)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NCC(CO)NC(Cc1ccccc1)C(=O)NC(=O)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)O
InChI Key	PYEJMAAHLSZGNK-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 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 phenylpropanoic acids primary alcohols proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	monocyclic benzene moiety carboxylic acid amino acid or derivatives alpha-amino acid or derivatives alpha peptide carboxylic acid imide, n-unsubstituted organonitrogen compound alpha-amino acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol secondary aliphatic amine polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid n-substituted-alpha-amino acid carboxylic acid imide secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine pyrrolidine-2-carboxamide amine carbonyl group aromatic heteromonocyclic compound 3-phenylpropanoic-acid amino acid guanidine imine n-acylpyrrolidine carboxylic acid derivative organic oxide tertiary carboxylic acid amide organopnictogen compound dicarboximide pyrrolidine primary alcohol amphetamine or derivatives proline or derivatives carboximidamide secondary amine carboxamide group monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound benzenoid organic nitrogen compound organooxygen compound

Showing information for DMID00912947