DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:11:02 UTC
Update Date	2025-03-25 00:57:46 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02226703
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₃N₄O₁₁P
Molecular Mass	454.1101
SMILES	CC(O)C(NC(=O)c1ncn(C2C(O)C(O)C(COP(=O)(O)O)C2O)c1N)C(=O)O
InChI Key	NECAQCDFCPJVBO-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	n-acyl-alpha amino acids
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	2-heteroaryl carboxamides alpha amino acids amino acids azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carbonylimidazoles carboxylic acids cyclitols and derivatives cyclopentanols heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkyl phosphates monocarboxylic acids and derivatives n-substituted imidazoles organic oxides organopnictogen compounds primary amines secondary carboxylic acid amides vinylogous amides
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid 2-heteroaryl carboxamide beta-hydroxy acid organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound imidazole-4-carbonyl group organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide azacycle n-acyl-alpha-amino acid heteroaromatic compound cyclitol or derivatives hydroxy acid cyclic alcohol carboxamide group cyclopentanol secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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