DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:59:15 UTC
Update Date	2025-03-21 18:06:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00060401
Frequency	51.8
Structure
Chemical Formula	C₁₄H₂₂N₄O₁₅P₂
Molecular Mass	548.0557
SMILES	Nc1c(C(=O)NC(CCC(=O)O)C(=O)O)ncn1C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O
InChI Key	MDZCIOCNUYVYGO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	imidazole ribonucleosides and ribonucleotides
Subclass	1-ribosyl-imidazolecarboxamides
Direct Parent	1-ribosyl-imidazolecarboxamides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,2-diols 2-heteroaryl carboxamides alpha amino acids amino acids azacyclic compounds carbonyl compounds carbonylimidazoles carboxylic acids dicarboxylic acids and derivatives glutamic acid and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkyl phosphates monosaccharides n-acyl-alpha amino acids 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 amino acid or derivatives monosaccharide pentose-5-phosphate alpha-amino acid or derivatives 2-heteroaryl carboxamide saccharide organonitrogen compound alpha-amino acid organoheterocyclic compound 1,2-diol n-acyl-alpha amino acid or derivatives alcohol vinylogous amide azacycle n-acyl-alpha-amino acid heteroaromatic compound glutamic acid or derivatives organic pyrophosphate secondary carboxylic acid amide monoalkyl phosphate dicarboxylic acid or derivatives hydrocarbon derivative primary amine amine carbonyl group aromatic heteromonocyclic compound pentose phosphate amino acid carboxylic acid derivative organic oxide imidazole organopnictogen compound imidazole-4-carbonyl group azole n-substituted imidazole tetrahydrofuran carboxamide group 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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