DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 12:18:46 UTC
Update Date	2025-03-24 21:34:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01822442
Frequency	0.7
Structure
Chemical Formula	C₂₂H₃₃N₇O₂₀P₄S
Molecular Mass	871.0452
SMILES	CSCCNc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)CC2O)C(O)C1O
InChI Key	SRDQLXZNBNHODD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrimidine nucleotides
Subclass	pyrimidine deoxyribonucleotides
Direct Parent	pyrimidine 2'-deoxyribonucleoside polyphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds dialkylthioethers heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams lactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates purine ribonucleoside monophosphates purines and purine derivatives pyrimidones secondary alcohols secondary alkylarylamines sulfenyl compounds tetrahydrofurans vinylogous amides
Substituents	lactam pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine organosulfur compound pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide carbonic acid derivative sulfenyl compound azacycle tetrahydrofuran dialkylthioether heteroaromatic compound secondary amine secondary aliphatic/aromatic amine oxacycle organic oxygen compound phosphoric acid ester thioether monoalkyl phosphate secondary alcohol hydrocarbon derivative purine pyrimidine 2'-deoxyribonucleoside polyphosphate organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound amine

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