Structure Information
Structure

Compound Identification

SMILES

CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCSCC(=O)NCCCC[C@H](NC(=O)C1=CC=CC=C1)C(N)=O

InChIKey

InChIKey=XOASFEJFRUOHBL-XRDVJKLASA-N

Formula

C36H55N10O19P3S

Mass

1056.87

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

S-alkyl-CoAs

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

S-alkyl-CoAs

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Coenzyme a or derivatives - Purine ribonucleoside 3',5'-bisphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside diphosphate - Ribonucleoside 3'-phosphate - Pentose phosphate - Pentose-5-phosphate - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Glycosyl compound - N-glycosyl compound - Beta amino acid or derivatives - 6-aminopurine - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Monosaccharide phosphate - Organic pyrophosphate - Pentose monosaccharide - Benzoic acid or derivatives - Purine - Imidazopyrimidine - Benzamide - Benzoyl - Aminopyrimidine - Monoalkyl phosphate - Fatty acyl - Phosphoric acid ester - Benzenoid - Alkyl phosphate - Fatty amide - Monocyclic benzene moiety - Organic phosphoric acid derivative - N-substituted imidazole - Pyrimidine - N-acyl-amine - Monosaccharide - Imidolactam - Imidazole - Azole - Oxolane - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Secondary alcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Thioether - Carboxylic acid derivative - Amine - Organic oxide - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Primary amine - Carbonyl group - Organosulfur compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as s-alkyl-coas. These are alkyl sulfides consisting of coenzyme A that carries an S-alkyl substituent.

External Descriptors

Not available

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