DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 08:49:58 UTC
Update Date	2025-03-25 00:26:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01323158
Frequency	1.0
Structure
Chemical Formula	C₄₉H₈₁N₁₇O₈
Molecular Mass	1035.6454
SMILES	CCC(C)C(NC(CCCNC(=N)N)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(=O)CCCNC(=N)N
InChI Key	LSIDZNXJQMHTHD-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 amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids and derivatives dialkylamines dicarboximides gamma amino acids and derivatives guanidines hydrocarbon derivatives imines isoleucine and derivatives leucine and derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids n-unsubstituted carboxylic acid imides organic oxides organopnictogen compounds peptides phenylalanine and derivatives secondary carboxylic acid amides tyrosine and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group amino acid or derivatives gamma amino acid or derivatives guanidine imine fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative alpha peptide carboxylic acid imide, n-unsubstituted organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound dicarboximide isoleucine or derivatives amphetamine 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 carboximidamide secondary amine carboxamide group n-acyl-amine n-substituted-alpha-amino acid carboxylic acid imide aromatic homomonocyclic compound secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound amine

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