DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:54 UTC
Update Date	2025-03-25 00:59:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02239882
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₅N₆O₈P
Molecular Mass	472.1471
SMILES	O=C1CCCN1CCCNc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O
InChI Key	IVLWRGUEYDPSIA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside monophosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams lactams monoalkyl phosphates monosaccharides n-alkylpyrrolidines n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates purines and purine derivatives pyrimidines and pyrimidine derivatives pyrrolidine-2-ones secondary alcohols secondary alkylarylamines tertiary carboxylic acid amides tetrahydrofurans
Substituents	2-pyrrolidone carbonyl group lactam pentose phosphate amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole tertiary carboxylic acid amide organonitrogen compound organopnictogen compound pyrrolidine imidolactam pyrrolidone organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol azacycle n-alkylpyrrolidine tetrahydrofuran heteroaromatic compound secondary amine carboxamide group secondary aliphatic/aromatic amine oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound amine

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