DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:58:31 UTC
Update Date	2025-03-25 00:53:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02197819
Frequency	0.5
Structure
Chemical Formula	C₁₉H₃₅N₇O₇
Molecular Mass	473.2598
SMILES	CCC(C)C(NC(=O)C(C)NC(=O)C(CCCN=C(N)N)NC(=O)C(N)CC(=O)O)C(=O)O
InChI Key	SPJUQFXLSPLORS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alanine and derivatives alpha amino acid amides alpha amino acids aspartic acid and derivatives carbonyl compounds carboximidamides carboxylic acids dicarboxylic acids and derivatives guanidines hydrocarbon derivatives isoleucine and derivatives methyl-branched fatty acids monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds peptides propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid guanidine fatty amide fatty acid alpha-amino acid or derivatives carboxylic acid derivative alpha peptide propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound isoleucine or derivatives n-acyl-alpha amino acid or derivatives polypeptide methyl-branched fatty acid alpha-amino acid amide n-acyl-alpha-amino acid organic 1,3-dipolar compound carboximidamide carboxamide group branched fatty acid n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide organic oxygen compound aspartic acid or derivatives dicarboxylic acid or derivatives alanine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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