DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:23:09 UTC
Update Date	2025-03-21 18:37:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00117988
Frequency	22.2
Structure
Chemical Formula	C₁₅H₂₂N₅O₁₃P
Molecular Mass	511.0952
SMILES	Nc1c(C(=O)NC(CC(=O)O)C(=O)NCC(=O)O)ncn1C1OC(COP(=O)(O)O)C(O)C1O
InChI Key	UIJZPYRLDMNZBG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	acyl glycines
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,2-diols 1-ribosyl-imidazolecarboxamides 2-heteroaryl carboxamides alpha amino acid amides alpha amino acids amino acids aspartic acid and derivatives azacyclic compounds carbonyl compounds carbonylimidazoles carboxylic acids dicarboxylic acids and derivatives dipeptides heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkyl phosphates monosaccharides n-acyl amines n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	carboxylic acid monosaccharide pentose-5-phosphate 2-heteroaryl carboxamide alpha peptide saccharide organonitrogen compound alpha-amino acid organoheterocyclic compound 1,2-diol alcohol vinylogous amide alpha-amino acid amide azacycle heteroaromatic compound n-acylglycine alpha-dipeptide secondary carboxylic acid amide monoalkyl phosphate aspartic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative primary amine amine fatty acyl carbonyl group imidazole ribonucleoside aromatic heteromonocyclic compound pentose phosphate amino acid fatty amide organic oxide imidazole organopnictogen compound imidazole-4-carbonyl group azole n-substituted imidazole tetrahydrofuran carboxamide group n-acyl-amine 1-ribosyl-imidazolecarboxamide oxacycle organic oxygen compound phosphoric acid ester secondary alcohol organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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