DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:30 UTC
Update Date	2025-03-25 00:47:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02161308
Frequency	0.5
Structure
Chemical Formula	C₃₄H₄₆N₈O₇
Molecular Mass	678.3489
SMILES	NC(N)=NCCCC(NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1)C(=O)O
InChI Key	MPWRCBLBZVODLK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids dialkylamines fatty amides guanidines hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds peptides phenylalanine and derivatives proline and derivatives propargyl-type 1,3-dipolar organic compounds pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides tyrosine and derivatives
Substituents	monocyclic benzene moiety carboxylic acid amino acid or derivatives alpha-amino acid or derivatives alpha peptide organonitrogen compound alpha-amino acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives secondary aliphatic amine polypeptide tyrosine or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid organic 1,3-dipolar compound n-substituted-alpha-amino acid secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives phenol hydrocarbon derivative pyrrolidine-2-carboxamide amine fatty acyl carbonyl group aromatic heteromonocyclic compound amino acid guanidine fatty amide n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid carboxylic acid derivative propargyl-type 1,3-dipolar organic compound organic oxide tertiary carboxylic acid amide organopnictogen compound pyrrolidine amphetamine or derivatives proline or derivatives carboximidamide secondary amine carboxamide group monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound benzenoid organic nitrogen compound organooxygen compound

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