DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 12:15:12 UTC
Update Date	2025-03-24 21:33:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01813998
Frequency	0.7
Structure
Chemical Formula	C₂₂H₃₃N₉O₁₉P₅S+
Molecular Mass	914.0296
SMILES	Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)c2C)c(N)n1
InChI Key	GVKWMNNAHXXLOL-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside 2',5'-bisphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	4,5-disubstituted thiazoles azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic cations organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purines and purine derivatives secondary alcohols tetrahydrofurans thiamine phosphates
Substituents	pentose phosphate monosaccharide pentose-5-phosphate imidazopyrimidine pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole purine ribonucleoside 2',5'-bisphosphate thiamine organonitrogen compound organopnictogen compound organic cation imidolactam organoheterocyclic compound thiamine-phosphate azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound 4,5-disubstituted 1,3-thiazole oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound thiazole organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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