DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:06:12 UTC
Update Date	2025-03-21 18:29:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00077057
Frequency	38.1
Structure
Chemical Formula	C₁₃H₂₀N₃O₁₀P
Molecular Mass	409.0886
SMILES	CC(=O)NC(Cc1cn(C2OC(COP(=O)(O)O)C(O)C2O)cn1)C(=O)O
InChI Key	VIOYWFCEMDNFBR-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 acetamides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazole ribonucleosides and ribonucleotides imidazoles monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-acyl-alpha amino acids n-substituted imidazoles organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	imidazole ribonucleoside carbonyl group carboxylic acid aromatic heteromonocyclic compound pentose phosphate pentose-5-phosphate alpha-amino acid or derivatives carboxylic acid derivative organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound acetamide azole 1,2-diol n-substituted imidazole n-acyl-alpha amino acid or derivatives alcohol azacycle n-acyl-alpha-amino acid tetrahydrofuran heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate

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