DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:11:19 UTC
Update Date	2025-03-21 18:32:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00089128
Frequency	31.7
Structure
Chemical Formula	C₁₂H₁₉N₄O₁₀P
Molecular Mass	410.0839
SMILES	Nc1c(C(=O)CC(N)C(=O)O)ncn1C1OC(COP(=O)(O)O)C(O)C1O
InChI Key	SOIAWADYFBEAHD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	pentose phosphates
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,2-diols alpha amino acids amino acids aryl alkyl ketones azacyclic compounds carbonylimidazoles carboxylic acids gamma-keto acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazole ribonucleosides and ribonucleotides imidazoles monoalkyl phosphates monoalkylamines monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds secondary alcohols tetrahydrofurans vinylogous amides
Substituents	carbonyl group imidazole ribonucleoside carboxylic acid aryl alkyl ketone aromatic heteromonocyclic compound pentose phosphate amino acid or derivatives amino acid pentose-5-phosphate alpha-amino acid or derivatives carboxylic acid derivative ketone organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound imidazole-4-carbonyl group organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound gamma-keto acid oxacycle monocarboxylic acid or derivatives phosphoric acid ester monoalkyl phosphate keto acid secondary alcohol hydrocarbon derivative primary aliphatic amine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate aryl ketone

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