DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:04 UTC
Update Date	2025-03-25 00:57:25 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02224596
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₂N₅O₈P
Molecular Mass	479.1206
SMILES	O=C(O)C(Cc1ccccc1)Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)O)O1
InChI Key	FWAPRPCSQPGXNZ-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	phenylalanine and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates phenylpropanoic acids purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines tetrahydrofurans
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid pentose phosphate amino acid monosaccharide imidazopyrimidine pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound imidolactam organoheterocyclic compound amphetamine or derivatives azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound secondary amine secondary aliphatic/aromatic amine oxacycle monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative benzenoid purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound amine

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