DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:59:06 UTC
Update Date	2025-03-25 00:53:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02199183
Frequency	0.5
Structure
Chemical Formula	C₂₆H₃₆N₈O₅
Molecular Mass	540.2809
SMILES	N=C(N)NCCCC(N)C(=O)N1CCCC1C(=O)N1CCC1C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O
InChI Key	ORJTXGFCMILNDX-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 azacyclic compounds azetidines benzenoids carbonyl compounds carboximidamides carboxylic acids guanidines heteroaromatic compounds hydrocarbon derivatives imines indoles monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds pyrroles pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	carbonyl group carboxylic acid indole guanidine imine n-acylpyrrolidine alpha-amino acid or derivatives organic oxide aromatic heteropolycyclic compound tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound indole or derivatives carboximidamide carboxamide group azetidine secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound pyrrole hydrocarbon derivative benzenoid primary aliphatic amine alpha-oligopeptide organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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