DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 11:06:39 UTC
Update Date	2025-03-24 21:02:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01649841
Frequency	0.8
Structure
Chemical Formula	C₃₀H₄₃N₈O₂₅P₃
Molecular Mass	1008.1552
SMILES	CC(=O)NC1C(OP(=O)(OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)OC(CO)C(O)C1OC(C)C(=O)O
InChI Key	VFWVPDOZDNZBNW-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 azacyclic compounds carbonyl compounds carboxylic acids dialkyl ethers dialkyl phosphates heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams lactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary alcohols primary amines purine ribonucleoside monophosphates purine ribonucleoside triphosphates purines and purine derivatives pyrimidine ribonucleoside triphosphates pyrimidones secondary alcohols secondary carboxylic acid amides sugar acids and derivatives tetrahydrofurans vinylogous amides
Substituents	pyrimidine ribonucleoside triphosphate lactam carboxylic acid amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine dialkyl ether muramic_acid organonitrogen compound oxane purine ribonucleoside triphosphate organoheterocyclic compound acetamide alcohol vinylogous amide azacycle heteroaromatic compound secondary carboxylic acid amide monoalkyl phosphate hydrocarbon derivative primary amine amine carbonyl group ether pentose phosphate amino acid pyrimidone carboxylic acid derivative pyrimidine n-acyl-alpha-hexosamine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound primary alcohol imidolactam azole n-substituted imidazole carbonic acid derivative tetrahydrofuran carboxamide group oxacycle dialkyl phosphate monocarboxylic acid or derivatives phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate

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