DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 10:49:29 UTC
Update Date	2025-03-24 20:54:49 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01608143
Frequency	0.8
Structure
Chemical Formula	C₃₁H₅₁N₇O₂₀P₄S
Molecular Mass	997.186
SMILES	CCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C(O)C1CP(=O)(O)O
InChI Key	PXIANITVACLMHC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	hexose phosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds beta amino acids and derivatives carbonyl compounds carbothioic s-esters carboxylic acids and derivatives fatty acyl thioesters heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-acyl amines n-substituted imidazoles organic oxides organic phosphonic acids and derivatives organophosphorus compounds organopnictogen compounds oxacyclic compounds oxanes primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides sulfenyl compounds thioesters thiolactones
Substituents	amino acid or derivatives imidazopyrimidine carbothioic s-ester organonitrogen compound organophosphorus compound oxane organophosphonic acid derivative organoheterocyclic compound alcohol sulfenyl compound azacycle thiocarboxylic acid ester heteroaromatic compound secondary carboxylic acid amide monoalkyl phosphate hydrocarbon derivative primary amine amine fatty acyl carbonyl group fatty amide organosulfur compound carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound imidolactam fatty acyl thioester thiolactone azole n-substituted imidazole thiocarboxylic acid or derivatives carboxamide group n-acyl-amine beta amino acid or derivatives oxacycle phosphoric acid ester secondary alcohol hexose phosphate purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate

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