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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
- Class S-alkyl-CoAs
-
Superclass
Lipids and lipid-like molecules
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
Coenzyme A and derivatives Purine ribonucleoside diphosphates Ribonucleoside 3'-phosphates Pentose phosphates Hippuric acids and derivatives N-acyl-alpha amino acids and derivatives Beta amino acids and derivatives Glycosylamines 6-aminopurines Organic pyrophosphates Monosaccharide phosphates Benzoyl derivatives Aminopyrimidines and derivatives Monoalkyl phosphates Imidolactams N-substituted imidazoles N-acyl amines Heteroaromatic compounds Oxolanes Primary carboxylic acid amides Secondary alcohols Secondary carboxylic acid amides Sulfenyl compounds Oxacyclic compounds Dialkylthioethers Azacyclic compounds Hydrocarbon derivatives Primary amines Carbonyl compounds Organic oxides
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