DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 17:26:11 UTC
Update Date	2025-03-25 01:51:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02539817
Frequency	0.5
Structure
Chemical Formula	C₂₇H₃₇N₇O₂₂P₃+
Molecular Mass	904.1199
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC([n+]3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)C(O)C(O)C2O)C(O)C1OP(=O)(O)O
InChI Key	HDLVQGDMYBMFRH-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	monosaccharides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glutamic acid and derivatives heteroaromatic compounds hexose phosphates hydrocarbon derivatives hydroxypyridines imidazoles imidolactams monoalkyl phosphates n-acyl-alpha amino acids n-substituted imidazoles organic cations organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary amines purine ribonucleoside 2',5'-bisphosphates purine ribonucleoside diphosphates purines and purine derivatives pyridinecarboxylic acids and derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	pyridine carboxylic acid or derivatives carboxylic acid amino acid or derivatives monosaccharide pentose-5-phosphate alpha-amino acid or derivatives imidazopyrimidine purine ribonucleoside diphosphate purine ribonucleoside 2',5'-bisphosphate organonitrogen compound alpha-amino acid oxane organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol azacycle n-acyl-alpha-amino acid heteroaromatic compound glutamic acid or derivatives organic pyrophosphate secondary carboxylic acid amide pyridine monoalkyl phosphate dicarboxylic acid or derivatives hydrocarbon derivative primary amine amine carbonyl group pentose phosphate amino acid carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound organic cation imidolactam azole n-substituted imidazole tetrahydrofuran hydroxypyridine carboxamide group oxacycle phosphoric acid ester secondary alcohol hexose phosphate purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate

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