DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:56:38 UTC
Update Date	2025-03-21 18:05:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00054217
Frequency	59.4
Structure
Chemical Formula	C₉H₁₃N₅O₁₀P₂
Molecular Mass	413.0138
SMILES	O=P(O)(O)OP(=O)(O)OCC1OC(n2cnc3nncnc32)C(O)C1O
InChI Key	GKPZHNMPXHDKEA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	pentose phosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2,4-triazines 1,2-diols azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organonitrogen compounds organopnictogen compounds oxacyclic compounds secondary alcohols tetrahydrofurans
Substituents	pentose phosphate pentose-5-phosphate organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound organic pyrophosphate oxacycle phosphoric acid ester monoalkyl phosphate secondary alcohol triazine hydrocarbon derivative organic nitrogen compound 1,2,4-triazine organic phosphoric acid derivative alkyl phosphate

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