DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:16:17 UTC
Update Date	2025-03-25 01:22:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02376536
Frequency	0.5
Structure
Chemical Formula	C₂₇H₄₀N₈O₂₆P₄
Molecular Mass	1016.1004
SMILES	CC(=O)NC1C(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)OC(CO)C(O)C1O
InChI Key	CJVFFNOWZMRLAH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	n-acyl-alpha-hexosamines
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	acetamides amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams lactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic carbonic acids and derivatives organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary alcohols primary amines purine ribonucleoside diphosphates purine ribonucleoside monophosphates purines and purine derivatives pyrimidones ribonucleoside 3'-phosphates secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	lactam amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine purine ribonucleoside diphosphate organonitrogen compound oxane organoheterocyclic compound acetamide alcohol vinylogous amide azacycle heteroaromatic compound organic pyrophosphate secondary carboxylic acid amide monoalkyl phosphate hydrocarbon derivative primary amine amine carbonyl group pentose phosphate pyrimidone carboxylic acid derivative pyrimidine n-acyl-alpha-hexosamine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound primary alcohol imidolactam azole n-substituted imidazole ribonucleoside 3'-phosphate carbonic acid derivative tetrahydrofuran carboxamide group oxacycle phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate

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