DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 17:27:19 UTC
Update Date	2025-03-25 01:51:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02542496
Frequency	0.5
Structure
Chemical Formula	C₂₀H₃₅N₇O₂₉P₆
Molecular Mass	1022.9905
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC2OC(CO)C(O)C(O)C2NC(=O)CC(N)C(=O)O)C(O)C1O
InChI Key	DLALEVHLGZSLEG-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	acylaminosugars alpha amino acids amino acids asparagine and derivatives azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monoalkylamines monocarboxylic acids and derivatives monosaccharides n-acyl amines n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary alcohols 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 alpha-amino acid or derivatives imidazopyrimidine organonitrogen compound alpha-amino acid asparagine or derivatives oxane organoheterocyclic compound alcohol azacycle heteroaromatic compound secondary carboxylic acid amide monoalkyl phosphate hydrocarbon derivative primary aliphatic amine primary amine amine fatty acyl carbonyl group pentose phosphate amino acid fatty amide 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 n-acyl-amine acylaminosugar oxacycle monocarboxylic acid or derivatives phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate

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