DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:46:59 UTC
Update Date	2025-03-25 00:49:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02171544
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₉N₄O₁₀PS
Molecular Mass	512.1342
SMILES	CN(C)Cc1ccc(CSCCNC(=C[N+](=O)[O-])NC2OC(COP(=O)(O)O)C(O)C2O)o1
InChI Key	NAEAMIGPLQUVPT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	pentose phosphates
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,2-diols aralkylamines c-nitro compounds dialkylamines dialkylthioethers furans heteroaromatic compounds hydrocarbon derivatives monoalkyl phosphates monosaccharides organic oxides organic oxoanionic compounds organic oxoazanium compounds organopnictogen compounds oxacyclic compounds propargyl-type 1,3-dipolar organic compounds secondary alcohols sulfenyl compounds tetrahydrofurans trialkylamines
Substituents	furan aromatic heteromonocyclic compound pentose phosphate allyl-type 1,3-dipolar organic compound pentose-5-phosphate organosulfur compound aralkylamine organic nitro compound propargyl-type 1,3-dipolar organic compound organic oxide c-nitro compound organonitrogen compound organopnictogen compound organic oxoazanium tertiary amine organoheterocyclic compound 1,2-diol alcohol secondary aliphatic amine sulfenyl compound tetrahydrofuran dialkylthioether heteroaromatic compound tertiary aliphatic amine organic 1,3-dipolar compound secondary amine oxacycle phosphoric acid ester thioether monoalkyl phosphate secondary alcohol hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organic hyponitrite

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