DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:16 UTC
Update Date	2025-03-25 00:47:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160782
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₃N₇O₉S
Molecular Mass	477.1278
SMILES	Nc1nc(NCCCC(N)C(=O)O)nc2c1ncn2C1OC(COS(=O)(=O)O)C(O)C1O
InChI Key	DIZXXCISBYOZRZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleosides
Subclass	purine nucleosides
Direct Parent	purine nucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols alkyl sulfates alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkylamines monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines sulfuric acid monoesters tetrahydrofurans
Substituents	sulfuric acid monoester carbonyl group carboxylic acid amino acid or derivatives amino acid monosaccharide alpha-amino acid or derivatives imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole alkyl sulfate organonitrogen compound alpha-amino acid organopnictogen compound imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol organic sulfuric acid or derivatives azacycle tetrahydrofuran purine nucleoside heteroaromatic compound secondary amine secondary aliphatic/aromatic amine oxacycle monocarboxylic acid or derivatives organic oxygen compound secondary alcohol sulfate-ester hydrocarbon derivative primary aliphatic amine primary amine purine organic nitrogen compound sulfuric acid ester amine organooxygen compound

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