DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:03:39 UTC
Update Date	2025-03-25 00:54:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02209662
Frequency	0.5
Structure
Chemical Formula	C₁₉H₃₃N₇O₇
Molecular Mass	471.2441
SMILES	CC(O)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NC(CCC(N)=O)C(=O)O
InChI Key	YUKCUBICPBSLKO-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 fatty amides glutamine and derivatives guanidines heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids imines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds peptides primary carboxylic acid amides proline and derivatives pyrrolidinecarboxamides secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives tertiary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid glutamine or derivatives heterocyclic fatty acid guanidine imine fatty amide 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 hydroxy fatty acid pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alcohol polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboximidamide carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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