DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 07:12:00 UTC
Update Date	2025-03-24 19:56:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01086205
Frequency	1.3
Structure
Chemical Formula	C₄₇H₈₃N₆O₉P
Molecular Mass	906.5959
SMILES	CCCCCCCC=CCCCCCCCC(O)C(COP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O)NC(=O)CCCCCCCC=CCCCCCCCC
InChI Key	MAKYNEAGBGWXBR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside monophosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives dialkyl phosphates heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-acyl amines n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates phosphoethanolamines primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	fatty acyl carbonyl group pentose phosphate amino acid or derivatives purine ribonucleoside monophosphate fatty amide monosaccharide pentose-5-phosphate imidazopyrimidine carboxylic acid derivative pyrimidine phosphoethanolamine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound carboxamide group n-acyl-amine oxacycle secondary carboxylic acid amide dialkyl phosphate organic oxygen compound phosphoric acid ester secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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