DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:26:44 UTC
Update Date	2025-03-25 00:41:44 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02125154
Frequency	0.6
Structure
Chemical Formula	C₄₅H₈₁N₆O₁₅P₃
Molecular Mass	1038.4973
SMILES	CCCCCCC=CCCCCCCCC(=O)NC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C(O)CCCCCCCC=CCCCCCCC
InChI Key	LFHPPTDNRRPBKE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside triphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-acyl amines n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates phosphoethanolamines primary amines purine ribonucleoside monophosphates 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 purine ribonucleoside triphosphate organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound carboxamide group n-acyl-amine oxacycle secondary carboxylic acid amide organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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