DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:49 UTC
Update Date	2025-03-25 00:47:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02162008
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₀N₅O₉P
Molecular Mass	445.0999
SMILES	O=C(O)C1CCCN1c1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O
InChI Key	FFZKPELQTAANDP-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 alpha amino acids aminopyrimidines and derivatives azacyclic compounds carbonyl compounds carboxylic acids dialkylarylamines heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates proline and derivatives purines and purine derivatives pyrrolidine carboxylic acids secondary alcohols tetrahydrofurans
Substituents	carbonyl group carboxylic acid pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate alpha-amino acid or derivatives imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole pyrrolidine carboxylic acid organonitrogen compound alpha-amino acid organopnictogen compound dialkylarylamine pyrrolidine imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole proline or derivatives alcohol azacycle tetrahydrofuran heteroaromatic compound aminopyrimidine oxacycle monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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