DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 17:20:50 UTC
Update Date	2025-03-25 01:48:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02527211
Frequency	0.5
Structure
Chemical Formula	C₃₁H₄₆N₁₁O₂₉P₅
Molecular Mass	1191.1151
SMILES	CC(=O)NC1C(OP(=O)(O)OP(=O)(OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)OC(CO)C(O)C1OC(C)C(=O)O
InChI Key	HMGUEMSCPNOARE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	sugar acids and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	acetamides amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkyl ethers heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-acyl-alpha-hexosamines n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary alcohols primary amines purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	carboxylic acid amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine dialkyl ether muramic_acid organonitrogen compound oxane organoheterocyclic compound acetamide alcohol azacycle heteroaromatic compound secondary carboxylic acid amide monoalkyl phosphate hydrocarbon derivative primary amine amine carbonyl group ether pentose phosphate amino acid carboxylic acid derivative n-acyl-alpha-hexosamine pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound primary alcohol imidolactam azole n-substituted imidazole tetrahydrofuran carboxamide group oxacycle monocarboxylic acid or derivatives phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate

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