DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:14 UTC
Update Date	2025-03-25 00:54:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02206341
Frequency	0.5
Structure
Chemical Formula	C₁₇H₃₀N₃O₁₁P
Molecular Mass	483.1618
SMILES	NC(CCCCNC(=O)C1CC=CN(C2OC(COP(=O)(O)O)C(O)C2O)C1O)C(=O)O
InChI Key	DGMOQQQIPWSNCM-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 azacyclic compounds carbonyl compounds carboxylic acids fatty acyls hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkyl phosphates monoalkylamines monocarboxylic acids and derivatives monosaccharides nicotinamides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates secondary alcohols secondary carboxylic acid amides tetrahydrofurans tetrahydropyridines
Substituents	fatty acyl carbonyl group carboxylic acid pentose phosphate nicotinamide monosaccharide pentose-5-phosphate alpha-amino acid or derivatives nicotinamide-nucleotide carboxylic acid derivative medium-chain hydroxy acid saccharide organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid organoheterocyclic compound alkanolamine 1,2-diol alcohol azacycle tetrahydrofuran tetrahydropyridine carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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