DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:52:43 UTC
Update Date	2025-03-21 18:03:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00045098
Frequency	74.8
Structure
Chemical Formula	C₁₁H₁₈N₄O₁₃P₂
Molecular Mass	476.0346
SMILES	Nc1c(C(=O)NCC(=O)O)ncn1C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O
InChI Key	WXGKEERMKAIQDO-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 acids amino acids azacyclic compounds carbonyl compounds carbonylimidazoles carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates 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 saccharide organonitrogen compound alpha-amino acid organoheterocyclic compound 1,2-diol alcohol vinylogous amide azacycle heteroaromatic compound n-acylglycine organic pyrophosphate secondary carboxylic acid amide monoalkyl phosphate hydrocarbon derivative primary amine amine carbonyl group imidazole ribonucleoside aromatic heteromonocyclic compound pentose phosphate amino acid organic oxide imidazole organopnictogen compound imidazole-4-carbonyl group azole n-substituted imidazole tetrahydrofuran carboxamide group 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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