Compound Identification
SMILES
CC(C)(COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12)C(O)C(O)=NCCC(O)=NCCSC(=O)CCC=CCC=CC=CC=CC(SCC(N)C(O)=O)C(O)CCCC(O)=O
InChIKey
InChIKey=QFIFJHIRXMCJMO-UHFFFAOYSA-N
Formula
C42H65N8O22P3S2
Mass
1191.06
Taxonomic Classification
Taxonomy Tree
-
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
- Level 6 Long-chain fatty acyl CoAs
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Level 5
Acyl CoAs
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Subclass
Fatty acyl thioesters
-
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
Direct Parent
Long-chain fatty acyl CoAs
Alternative Parents
Coenzyme A and derivatives Purine ribonucleoside diphosphates Pentose phosphates Ribonucleoside 3'-phosphates Lineolic acids and derivatives Long-chain fatty acids Cysteine and derivatives Glycosylamines Alpha amino acids 6-aminopurines Organic pyrophosphates Monosaccharide phosphates Thia fatty acids Hydroxy fatty acids Aminopyrimidines and derivatives Monoalkyl phosphates Unsaturated fatty acids Dicarboxylic acids and derivatives N-substituted imidazoles Imidolactams Oxolanes Heteroaromatic compounds Carbothioic S-esters Amino acids Thioesters Secondary alcohols Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Dialkylthioethers Carboxylic acids Carboximidic acids Organic oxides Carbonyl compounds Hydrocarbon derivatives Monoalkylamines
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 - Octadecanoid - Long-chain fatty acid - Cysteine or derivatives - Glycosyl compound - N-glycosyl compound - Alpha-amino acid - Alpha-amino acid or derivatives - 6-aminopurine - Monosaccharide phosphate - Organic pyrophosphate - Pentose monosaccharide - Imidazopyrimidine - Purine - Aminopyrimidine - Hydroxy fatty acid - Monoalkyl phosphate - Thia fatty acid - Fatty acid - Imidolactam - Dicarboxylic acid or derivatives - Alkyl phosphate - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Unsaturated fatty acid - Phosphoric acid ester - Pyrimidine - Imidazole - Oxolane - Azole - Heteroaromatic compound - Amino acid - Secondary alcohol - Thiocarboxylic acid ester - Carbothioic s-ester - Amino acid or derivatives - Dialkylthioether - Sulfenyl compound - Oxacycle - Thioether - Carboximidic acid - Azacycle - Thiocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Carboximidic acid derivative - Organic 1,3-dipolar compound - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Organic oxygen compound - Organic oxide - Primary aliphatic amine - Primary amine - Amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as long-chain fatty acyl coas. These are acyl CoAs where the group acylated to the coenzyme A moiety is a long aliphatic chain of 13 to 21 carbon atoms.
External Descriptors
Not available