DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:42:56 UTC
Update Date	2025-03-21 17:59:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00021882
Frequency	182.0
Structure
Chemical Formula	C₂₀H₃₀N₃O₁₆P
Molecular Mass	599.1364
SMILES	CC(=O)NC1C(OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)OC(CO)C(O)C1OC(C)C(=O)O
InChI Key	WXLPWEZIDKHDMU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	sugar acids and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	acetamides azacyclic compounds carbonyl compounds carboxylic acids dialkyl ethers dialkyl phosphates heteroaromatic compounds hydrocarbon derivatives lactams monocarboxylic acids and derivatives monosaccharides n-acyl-alpha-hexosamines organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary alcohols pyrimidine ribonucleoside monophosphates pyrimidones secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	carbonyl group ether lactam carboxylic acid aromatic heteromonocyclic compound pentose phosphate monosaccharide pentose-5-phosphate pyrimidone carboxylic acid derivative dialkyl ether pyrimidine n-acyl-alpha-hexosamine muramic_acid organic oxide organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide dialkyl phosphate pyrimidine ribonucleoside monophosphate monocarboxylic acid or derivatives phosphoric acid ester secondary alcohol hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate

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