DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:41:41 UTC
Update Date	2025-03-21 17:59:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00019082
Frequency	215.7
Structure
Chemical Formula	C₁₇H₂₇N₃O₁₇P₂
Molecular Mass	607.0816
SMILES	CC(=O)NC1C(O)OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)C(O)C1O
InChI Key	QZJUTSVCHRPIQV-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 heteromonocyclic compounds
Alternative Parents	acetamides acylaminosugars azacyclic compounds carbonyl compounds carboxylic acids and derivatives hemiacetals heteroaromatic compounds hexose phosphates hydrocarbon derivatives lactams monoalkyl phosphates monosaccharides organic carbonic acids and derivatives organic oxides organic pyrophosphates organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pentose phosphates pyrimidine ribonucleoside diphosphates pyrimidones secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	carbonyl group lactam aromatic heteromonocyclic compound pentose phosphate monosaccharide pentose-5-phosphate pyrimidone carboxylic acid derivative pyrimidine n-acyl-alpha-hexosamine organic oxide organonitrogen compound organopnictogen compound hemiacetal oxane organoheterocyclic compound acetamide alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound carboxamide group organic pyrophosphate acylaminosugar oxacycle secondary carboxylic acid amide pyrimidine ribonucleoside diphosphate phosphoric acid ester monoalkyl phosphate secondary alcohol hexose phosphate hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate

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