DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:29 UTC
Update Date	2025-03-25 00:51:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184132
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₆N₆O₁₂P₂
Molecular Mass	556.1084
SMILES	NC(CCCCNc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(OP(=O)(O)O)C1O)C(=O)O
InChI Key	CZQDQOOHOIBDQL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside 3',5'-bisphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives hydroxy fatty acids imidazoles imidolactams medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkyl phosphates monoalkylamines monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives ribonucleoside 3'-phosphates secondary alcohols secondary alkylarylamines tetrahydrofurans
Substituents	carboxylic acid amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate alpha-amino acid or derivatives imidazopyrimidine medium-chain hydroxy acid saccharide organonitrogen compound alpha-amino acid hydroxy fatty acid organoheterocyclic compound alcohol azacycle heteroaromatic compound secondary aliphatic/aromatic amine monoalkyl phosphate hydrocarbon derivative primary aliphatic amine amine fatty acyl carbonyl group pentose phosphate amino acid fatty acid carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound medium-chain fatty acid imidolactam azole n-substituted imidazole purine ribonucleoside 3',5'-bisphosphate ribonucleoside 3'-phosphate tetrahydrofuran secondary amine oxacycle monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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