DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:59:28 UTC
Update Date	2025-03-21 18:06:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00060920
Frequency	51.3
Structure
Chemical Formula	C₂₀H₂₉N₃O₇
Molecular Mass	423.2006
SMILES	O=C(O)CCC(NC(=O)c1ccc(N2CCN(CCOCCO)CC2)cc1)C(=O)O
InChI Key	KAHHRQGSTLDQKY-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	glutamic acid and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alcohols and polyols alpha amino acids amino acids aminobenzamides aniline and substituted anilines azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids dialkyl ethers dialkylarylamines dicarboxylic acids and derivatives hippuric acids and derivatives hydrocarbon derivatives n-acyl-alpha amino acids n-alkylpiperazines n-arylpiperazines organic oxides organopnictogen compounds phenylpiperazines secondary carboxylic acid amides trialkylamines
Substituents	monocyclic benzene moiety carbonyl group ether carboxylic acid aromatic heteromonocyclic compound amino acid benzoyl dialkyl ether benzamide organic oxide piperazine tertiary aliphatic/aromatic amine organonitrogen compound alpha-amino acid organopnictogen compound dialkylarylamine aminobenzoic acid or derivatives tertiary amine organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol azacycle n-acyl-alpha-amino acid hippuric acid or derivatives aniline or substituted anilines n-alkylpiperazine tertiary aliphatic amine benzoic acid or derivatives glutamic acid or derivatives carboxamide group aminobenzamide phenylpiperazine secondary carboxylic acid amide organic oxygen compound 1,4-diazinane dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound amine n-arylpiperazine organooxygen compound

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