DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:20 UTC
Update Date	2025-03-25 00:48:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02167818
Frequency	0.5
Structure
Chemical Formula	C₁₇H₃₁N₅O₄
Molecular Mass	369.2376
SMILES	CC(C)CCC(=O)N1CCCC1C(=O)NC(CCCNC(=N)N)C(=O)O
InChI Key	OKBBCMVKRUXHIX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	dipeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids arginine and derivatives azacyclic compounds branched fatty acids carbonyl compounds carboximidamides carboxylic acids guanidines heterocyclic fatty acids hydrocarbon derivatives imines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid heterocyclic fatty acid guanidine imine n-acylpyrrolidine fatty acid alpha-amino acid or derivatives organic oxide arginine or derivatives 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 alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboximidamide carboxamide group branched fatty acid alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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