DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:54 UTC
Update Date	2025-03-25 00:46:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02153266
Frequency	0.5
Structure
Chemical Formula	C₂₂H₂₇N₉O₆
Molecular Mass	513.2084
SMILES	NC(=O)CCC(NC(=O)CCNC(=O)c1ccc(NCC2=Nc3c([nH]c(N)nc3=O)NC2)cc1)C(=O)O
InChI Key	VUTZZLAIHOSPGR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids azacyclic compounds benzamides benzoyl derivatives beta amino acids and derivatives carbonyl compounds carboxylic acids fatty amides glutamine and derivatives heteroaromatic compounds hydrocarbon derivatives ketimines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalkylamines primary amines primary carboxylic acid amides propargyl-type 1,3-dipolar organic compounds pterins and derivatives pyrimidones secondary alkylarylamines secondary carboxylic acid amides vinylogous amides
Substituents	monocyclic benzene moiety carboxylic acid glutamine or derivatives amino acid or derivatives benzoyl alpha-amino acid or derivatives pteridine organonitrogen compound alpha-amino acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives vinylogous amide pterin azacycle n-acyl-alpha-amino acid heteroaromatic compound organic 1,3-dipolar compound secondary aliphatic/aromatic amine secondary carboxylic acid amide hydrocarbon derivative primary amine amine primary carboxylic acid amide fatty acyl ketimine carbonyl group amino acid imine fatty amide pyrimidone carboxylic acid derivative benzamide pyrimidine propargyl-type 1,3-dipolar organic compound organic oxide aromatic heteropolycyclic compound organopnictogen compound benzoic acid or derivatives secondary amine carboxamide group beta amino acid or derivatives monocarboxylic acid or derivatives organic oxygen compound hybrid peptide phenylalkylamine benzenoid organic nitrogen compound organooxygen compound

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