DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:50:20 UTC
Update Date	2025-03-21 18:02:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00039312
Frequency	88.6
Structure
Chemical Formula	C₁₄H₂₁N₄O₁₃P
Molecular Mass	484.0843
SMILES	Nc1c(C(=O)NC(CC(=O)O)C(=O)O)ncn1C1OC(COP(=O)(O)O)C(O)C(O)C1O
InChI Key	JMJDSLXJIDJQFN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	hexose phosphates
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	2-heteroaryl carboxamides alpha amino acids amino acids aspartic acid and derivatives azacyclic compounds carbonyl compounds carbonylimidazoles carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkyl phosphates monosaccharides n-acyl-alpha amino acids n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds oxanes primary amines secondary alcohols secondary carboxylic acid amides vinylogous amides
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid alpha-amino acid or derivatives carboxylic acid derivative 2-heteroaryl carboxamide organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound imidazole-4-carbonyl group oxane organoheterocyclic compound azole n-substituted imidazole n-acyl-alpha amino acid or derivatives alcohol vinylogous amide azacycle n-acyl-alpha-amino acid heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide phosphoric acid ester monoalkyl phosphate aspartic acid or derivatives secondary alcohol hexose phosphate dicarboxylic acid or derivatives hydrocarbon derivative primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate

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