DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 03:58:24 UTC
Update Date	2025-03-21 23:01:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00623539
Frequency	2.6
Structure
Chemical Formula	C₂₇H₄₁F₃N₆O₁₇P₂S₂
Molecular Mass	904.1397
SMILES	CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OC2OC(CO)C(O)C(OC(C)C(=O)O)C2NC(C)=O)C(O)C1O
InChI Key	DLAYSFRCNCBRDO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	n-acyl-alpha-hexosamines
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	acetamides alkyl fluorides alkylarylthioethers amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkyl ethers dialkylthioethers heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organofluorides organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary alcohols purine ribonucleoside diphosphates purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines secondary carboxylic acid amides sugar acids and derivatives sulfenyl compounds tetrahydrofurans
Substituents	carboxylic acid amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine dialkyl ether aryl thioether muramic_acid purine ribonucleoside diphosphate organonitrogen compound oxane organoheterocyclic compound acetamide alcohol sulfenyl compound azacycle alkyl fluoride dialkylthioether heteroaromatic compound organic pyrophosphate secondary aliphatic/aromatic amine secondary carboxylic acid amide thioether monoalkyl phosphate hydrocarbon derivative amine carbonyl group ether pentose phosphate amino acid alkylarylthioether organosulfur compound carboxylic acid derivative organohalogen compound n-acyl-alpha-hexosamine pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound alkyl halide primary alcohol imidolactam azole n-substituted imidazole tetrahydrofuran organofluoride secondary amine carboxamide group oxacycle monocarboxylic acid or derivatives phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate

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