DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:36:25 UTC
Update Date	2025-03-21 17:57:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00007091
Frequency	724.9
Structure
Chemical Formula	C₁₁H₁₇N₄O₁₀P
Molecular Mass	396.0682
SMILES	Nc1c(C(=O)NCC(=O)O)ncn1C1OC(COP(=O)(O)O)C(O)C1O
InChI Key	PGPWTSJHRMQJPW-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 organopnictogen compounds oxacyclic compounds pentose phosphates primary amines secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	carbonyl group imidazole ribonucleoside carboxylic acid aromatic heteromonocyclic compound pentose phosphate amino acid monosaccharide pentose-5-phosphate 2-heteroaryl carboxamide saccharide 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 carboxamide group n-acylglycine 1-ribosyl-imidazolecarboxamide oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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