DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:06:42 UTC
Update Date	2025-03-25 00:56:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02216809
Frequency	0.5
Structure
Chemical Formula	C₃₇H₄₇N₅O₉
Molecular Mass	705.3374
SMILES	CCC1=C(C)C(=O)NC1Cc1[nH]c(Cc2[nH]c(CC(NC(=O)C(N)Cc3ccc(O)cc3)C(=O)O)c(C)c2CCC(=O)O)c(CCC(=O)O)c1C
InChI Key	FKSJNKBKNLCSEP-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	dipeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids fatty amides heteroaromatic compounds hydrocarbon derivatives lactams monoalkylamines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives pyrroles pyrrolines secondary carboxylic acid amides tricarboxylic acids and derivatives tyrosine and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group lactam carboxylic acid aromatic heteromonocyclic compound fatty amide 1-hydroxy-2-unsubstituted benzenoid tricarboxylic acid or derivatives alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives tyrosine or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound carboxamide group alpha-dipeptide secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound pyrroline pyrrole phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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