DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:22:15 UTC
Update Date	2025-03-25 01:01:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02252267
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₄N₅O₁₃P
Molecular Mass	513.1108
SMILES	Nc1c(C(=O)NC(C(=O)NCC(=O)O)C(O)CO)ncn1C1OC(COP(=O)(O)O)C(O)C1O
InChI Key	FXGWFBIWFQKHHE-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-ribosyl-imidazolecarboxamides 2-heteroaryl carboxamides alpha amino acid amides alpha amino acids amino acids azacyclic compounds carbonyl compounds carbonylimidazoles carboxylic acids dipeptides heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-acyl amines n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary alcohols 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 alcohol vinylogous amide alpha-amino acid amide azacycle heteroaromatic compound n-acylglycine alpha-dipeptide secondary carboxylic acid amide monoalkyl phosphate 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 primary alcohol azole n-substituted imidazole tetrahydrofuran carboxamide group n-acyl-amine 1-ribosyl-imidazolecarboxamide oxacycle monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester secondary alcohol organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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