DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:43:32 UTC
Update Date	2025-03-25 01:09:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02300719
Frequency	0.5
Structure
Chemical Formula	C₄₅H₆₈N₁₀O₁₂
Molecular Mass	940.5018
SMILES	CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(Cc1ccc(O)cc1)C(=O)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)C(N)CC(=O)O)C(C)C)C(C)CC)C(=O)O
InChI Key	MAGQHTKWWZFYKY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amino acids amphetamines and derivatives aspartic acid and derivatives benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids dialkylamines dicarboximides dicarboxylic acids and derivatives guanidines hydrocarbon derivatives isoleucine and derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids n-unsubstituted carboxylic acid imides organic oxides organopnictogen compounds peptides phenylalanine and derivatives propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides tyrosine and derivatives valine and derivatives
Substituents	monocyclic benzene moiety carboxylic acid amino acid or derivatives alpha-amino acid or derivatives alpha peptide carboxylic acid imide, n-unsubstituted organonitrogen compound alpha-amino acid isoleucine or derivatives n-acyl-alpha amino acid or derivatives secondary aliphatic amine polypeptide tyrosine or derivatives alpha-amino acid amide n-acyl-alpha-amino acid valine or derivatives organic 1,3-dipolar compound n-substituted-alpha-amino acid carboxylic acid imide aromatic homomonocyclic compound secondary carboxylic acid amide aspartic acid or derivatives dicarboxylic acid or derivatives phenol hydrocarbon derivative primary aliphatic amine amine fatty acyl carbonyl group amino acid guanidine fatty amide 1-hydroxy-2-unsubstituted benzenoid carboxylic acid derivative propargyl-type 1,3-dipolar organic compound organic oxide organopnictogen compound dicarboximide amphetamine or derivatives carboximidamide secondary amine carboxamide group n-acyl-amine phenylalanine or derivatives organic oxygen compound benzenoid organic nitrogen compound organooxygen compound

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