DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:56 UTC
Update Date	2025-03-25 00:51:31 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02187504
Frequency	0.5
Structure
Chemical Formula	C₂₈H₄₇N₉O₇
Molecular Mass	621.3598
SMILES	CC(C)C(NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)CNC(=O)C1CCCN1C(=O)C(N)CCCNC(=N)N)C(=O)O
InChI Key	LHIBBDLUZUAWJU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboximidamides carboxylic acids guanidines heterocyclic fatty acids hydrocarbon derivatives imines methyl-branched fatty acids monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds peptides proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides valine and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid heterocyclic fatty acid guanidine imine n-acylpyrrolidine fatty acid alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives polypeptide methyl-branched fatty acid alpha-amino acid amide azacycle n-acyl-alpha-amino acid valine or derivatives carboximidamide carboxamide group branched fatty acid secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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