Compound Identification
SMILES
CCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C)(C(O)C1OP([O-])([O-])=O)N1C=NC2=C(N)N=CN=C12
InChIKey
InChIKey=XTEYONNNQURLOI-UHFFFAOYSA-J
Formula
C42H70N7O18P3S
Mass
1086.04
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Fatty Acyls
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Subclass
Fatty acyl thioesters
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Level 5
Acyl CoAs
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Level 6
3-oxo-acyl CoAs
- Level 7 Long-chain 3-oxoacyl CoAs
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Level 6
3-oxo-acyl CoAs
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Level 5
Acyl CoAs
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Subclass
Fatty acyl thioesters
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Class
Fatty Acyls
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Fatty acyl thioesters
Intermediate Tree Nodes
Acyl CoAs - 3-oxo-acyl CoAs
Direct Parent
Long-chain 3-oxoacyl CoAs
Alternative Parents
Long-chain fatty acyl CoAs 2,3,4-saturated fatty acyl CoAs Coenzyme A and derivatives Purine ribonucleoside diphosphates Ribonucleoside 3'-phosphates Pentose phosphates C-glycosyl compounds 6-aminopurines Organic pyrophosphates Monosaccharide phosphates Aminopyrimidines and derivatives Monoalkyl phosphates 1,3-dicarbonyl compounds Imidolactams N-substituted imidazoles Oxolanes Heteroaromatic compounds Carbothioic S-esters Thioesters Amino acids and derivatives Secondary alcohols Ketones Sulfenyl compounds Oxacyclic compounds Carboximidic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Primary amines Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coenzyme a or derivatives - Purine ribonucleoside 3',5'-bisphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside diphosphate - Pentose phosphate - Ribonucleoside 3'-phosphate - Pentose-5-phosphate - C-glycosyl compound - Glycosyl compound - Organic pyrophosphate - Monosaccharide phosphate - 6-aminopurine - Imidazopyrimidine - Purine - Monoalkyl phosphate - Aminopyrimidine - Imidolactam - Organic phosphoric acid derivative - N-substituted imidazole - Monosaccharide - Phosphoric acid ester - Alkyl phosphate - 1,3-dicarbonyl compound - Pyrimidine - Imidazole - Heteroaromatic compound - Oxolane - Azole - Amino acid or derivatives - Carbothioic s-ester - Ketone - Secondary alcohol - Thiocarboxylic acid ester - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thiocarboxylic acid or derivatives - Oxacycle - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid derivative - Organic nitrogen compound - Amine - Carbonyl group - Alcohol - Hydrocarbon derivative - Primary amine - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as long-chain 3-oxoacyl coas. These are organic compounds containing a coenzyme A derivative, which is 3-oxo acylated long aliphatic chain of 13 to 21 carbon atoms.
External Descriptors
Not available