DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:26 UTC
Update Date	2025-03-25 00:51:41 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02188617
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₈N₇O₇P
Molecular Mass	403.1005
SMILES	CC(N)C(=O)NC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O
InChI Key	LDIHHVWXMATWGT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	ribonucleoside 3'-phosphates
Subclass	ribonucleoside 3'-phosphates
Direct Parent	ribonucleoside 3'-phosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alanine and derivatives alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monoalkylamines monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	carbonyl group amino acid or derivatives monosaccharide alpha-amino acid or derivatives imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole ribonucleoside 3'-phosphate alcohol alpha-amino acid amide azacycle tetrahydrofuran heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol alanine or derivatives hydrocarbon derivative primary aliphatic amine primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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