DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:12:29 UTC
Update Date	2025-03-21 18:32:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00091934
Frequency	30.5
Structure
Chemical Formula	C₁₅H₂₂N₃O₁₂P
Molecular Mass	467.0941
SMILES	Nc1c(C(=O)NC(CCC(=O)O)C(=O)O)ccn1C1OC(COP(=O)(O)O)C(O)C1O
InChI Key	AOFFNICKSUNWSN-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 alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glutamic acid and derivatives heteroaromatic compounds hydrocarbon derivatives monoalkyl phosphates monosaccharides n-acyl-alpha amino acids organic oxides organopnictogen compounds oxacyclic compounds primary amines pyrrole carboxamides secondary alcohols secondary carboxylic acid amides substituted pyrroles tetrahydrofurans vinylogous amides
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound pyrrole-3-carboxylic acid or derivatives pentose phosphate amino acid or derivatives amino acid pentose-5-phosphate alpha-amino acid or derivatives substituted pyrrole carboxylic acid derivative organic oxide organonitrogen compound pyrrole-3-carboxamide alpha-amino acid organopnictogen compound organoheterocyclic compound 1,2-diol n-acyl-alpha amino acid or derivatives alcohol vinylogous amide azacycle n-acyl-alpha-amino acid tetrahydrofuran heteroaromatic compound glutamic acid or derivatives carboxamide group oxacycle secondary carboxylic acid amide phosphoric acid ester monoalkyl phosphate pyrrole secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate

Showing information for DMID00091934