DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 13:27:58 UTC
Update Date	2025-03-24 22:05:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01985799
Frequency	0.6
Structure
Chemical Formula	C₄₄H₇₉N₁₉O₁₁
Molecular Mass	1049.6206
SMILES	N=C(N)NCCCC(CNC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(N)CCCNC(=N)N)NC(CCCCN)C(=O)NC(=O)C(CO)N1CCCC1C(=O)NC(=O)C(=O)NC(CCCNC(=N)N)C(=O)O
InChI Key	MWFGTTQIMZFENU-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 amino acids arginine and derivatives azacyclic compounds carbonyl compounds carboximidamides carboxylic acids dialkylamines dicarboximides guanidines heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids imines monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines n-alkylpyrrolidines n-unsubstituted carboxylic acid imides organic oxides organopnictogen compounds peptides primary alcohols proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides serine and derivatives short-chain hydroxy acids and derivatives tertiary carboxylic acid amides trialkylamines
Substituents	carboxylic acid short-chain hydroxy acid amino acid or derivatives alpha-amino acid or derivatives alpha peptide carboxylic acid imide, n-unsubstituted organonitrogen compound alpha-amino acid hydroxy fatty acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol secondary aliphatic amine polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid tertiary aliphatic amine n-substituted-alpha-amino acid carboxylic acid imide secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine pyrrolidine-2-carboxamide amine fatty acyl carbonyl group amino acid heterocyclic fatty acid guanidine imine n-acylpyrrolidine fatty acid carboxylic acid derivative organic oxide arginine or derivatives tertiary carboxylic acid amide aliphatic heteromonocyclic compound organopnictogen compound dicarboximide pyrrolidine primary alcohol tertiary amine proline or derivatives n-alkylpyrrolidine carboximidamide secondary amine carboxamide group n-acyl-amine monocarboxylic acid or derivatives organic oxygen compound organic nitrogen compound serine or derivatives organooxygen compound

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