DeepMet

Record Information
HMDB Status	expected
Creation Date	2024-02-21 00:28:19 UTC
Update Date	2025-03-21 18:40:28 UTC
HMDB ID	HMDB0015401
Metabolite Identification
DeepMet ID	DMID00130214
Name	Nelarabine
Frequency	19.5
Structure
Chemical Formula	C₁₁H₁₅N₅O₅
Molecular Mass	297.1073
SMILES	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O
InChI Key	IXOXBSCIXZEQEQ-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	alkyl aryl ethers azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles monosaccharides n-substituted imidazoles organopnictogen compounds oxacyclic compounds primary alcohols primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	ether monosaccharide imidazopyrimidine alkyl aryl ether pyrimidine saccharide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound primary alcohol organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran purine nucleoside heteroaromatic compound oxacycle organic oxygen compound secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound amine organooxygen compound

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