DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:37:59 UTC
Update Date	2025-03-25 00:45:45 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02151095
Frequency	0.5
Structure
Chemical Formula	C₂₈H₄₃N₉O₈
Molecular Mass	633.3235
SMILES	N=C(N)NCCCC(N)C(=O)N1CCCC1C(=O)NC(CCC(N)=O)C(=O)NC(Cc1ccccc1)C(=O)NC(CO)C(=O)O
InChI Key	CBWHSWRNGYOVHS-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 amphetamines and derivatives azacyclic compounds benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboximidamides carboxylic acids glutamine and derivatives guanidines hydrocarbon derivatives imines monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds peptides phenylalanine and derivatives primary alcohols primary carboxylic acid amides proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides serine and derivatives tertiary carboxylic acid amides
Substituents	monocyclic benzene moiety carboxylic acid glutamine or derivatives alpha-amino acid or derivatives alpha peptide beta-hydroxy acid organonitrogen compound alpha-amino acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid n-substituted-alpha-amino acid secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine pyrrolidine-2-carboxamide primary carboxylic acid amide fatty acyl carbonyl group aromatic heteromonocyclic compound guanidine imine fatty amide n-acylpyrrolidine carboxylic acid derivative organic oxide tertiary carboxylic acid amide organopnictogen compound pyrrolidine primary alcohol amphetamine or derivatives proline or derivatives carboximidamide hydroxy acid carboxamide group n-acyl-amine monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound benzenoid organic nitrogen compound serine or derivatives organooxygen compound

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