DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:21:38 UTC
Update Date	2025-03-25 01:01:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02250841
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₃N₂O₁₃P
Molecular Mass	470.0938
SMILES	O=C(O)CC(NC(=O)C1CC=CN(C2OC(COP(=O)(O)O)C(O)C2O)C1O)C(=O)O
InChI Key	ZTLKBGREHFPMQU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyridine nucleotides
Subclass	nicotinamide nucleotides
Direct Parent	nicotinamide nucleotides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	1,2-diols alkanolamines alpha amino acids aspartic acid and derivatives azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives monoalkyl phosphates monosaccharides n-acyl-alpha amino acids nicotinamides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives tetrahydrofurans tetrahydropyridines
Substituents	carbonyl group carboxylic acid short-chain hydroxy acid pentose phosphate nicotinamide monosaccharide pentose-5-phosphate alpha-amino acid or derivatives nicotinamide-nucleotide carboxylic acid derivative saccharide organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound alkanolamine 1,2-diol n-acyl-alpha amino acid or derivatives alcohol azacycle n-acyl-alpha-amino acid tetrahydrofuran tetrahydropyridine carboxamide group oxacycle secondary carboxylic acid amide organic oxygen compound phosphoric acid ester monoalkyl phosphate aspartic acid or derivatives secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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