DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:39:10 UTC
Update Date	2025-03-21 17:58:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00013559
Frequency	411.9
Structure
Chemical Formula	C₂₂H₃₁N₇O₄
Molecular Mass	457.2438
SMILES	N=C(N)NCCCC(NC(=O)C1CCCN1C(=O)C(N)Cc1c[nH]c2ccccc12)C(=O)O
InChI Key	UHXOYRWHIQZAKV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids arginine and derivatives azacyclic compounds 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 peptides proline and derivatives 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 carboxylic acid derivative alpha peptide organic oxide aromatic heteropolycyclic compound arginine or derivatives tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound indole or derivatives carboximidamide carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound pyrrole hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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