DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:01 UTC
Update Date	2025-03-25 00:57:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02224496
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₄N₂O₁₀P+
Molecular Mass	483.1163
SMILES	O=C(NC(Cc1ccccc1)C(=O)O)c1ccc[n+](C2OC(COP(=O)(O)O)C(O)C2O)c1
InChI Key	DWKVQIWLROAIAC-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyridine nucleotides
Subclass	pyridine nucleotides
Direct Parent	pyridine nucleotides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,2-diols alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives hydroxypyridines monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-acyl-alpha amino acids nicotinamides organic cations organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates phenylalanine and derivatives phenylpropanoic acids pyridinecarboxylic acids and derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	pyridine carboxylic acid or derivatives monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid pentose phosphate nicotinamide monosaccharide pentose-5-phosphate alpha-amino acid or derivatives carboxylic acid derivative saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organoheterocyclic compound amphetamine or derivatives 1,2-diol n-acyl-alpha amino acid or derivatives pyridine nucleotide alcohol vinylogous amide azacycle n-acyl-alpha-amino acid tetrahydrofuran heteroaromatic compound hydroxypyridine carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives pyridine phenylalanine or derivatives organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative benzenoid organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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