Compound Identification
SMILES
CCCCCC=CCC=CCCCCCCCCCC(=O)SCCNC(O)C(CNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)=O
InChIKey
InChIKey=BDIFDRGVARSPBO-UHFFFAOYSA-N
Formula
C42H72N7O19P3S
Mass
1104.05
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
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
2,3,4-saturated fatty acyl CoAs Coenzyme A and derivatives Purine ribonucleoside diphosphates Pentose phosphates Ribonucleoside 3'-phosphates Glycosylamines Beta amino acids and derivatives 6-aminopurines Organic pyrophosphates Monosaccharide phosphates Beta hydroxy acids and derivatives Monoalkyl phosphates Aminopyrimidines and derivatives N-substituted imidazoles N-acyl amines Imidolactams Tetrahydrofurans Heteroaromatic compounds Thioesters Amino acids Secondary carboxylic acid amides Secondary alcohols Carbothioic S-esters Hemiaminals Oxacyclic compounds Carboxylic acids Azacyclic compounds Dialkylamines Sulfenyl compounds Monocarboxylic acids and derivatives Carbonyl compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
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 - Beta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Organic pyrophosphate - Pentose monosaccharide - Monosaccharide phosphate - Purine - Imidazopyrimidine - Beta-hydroxy acid - Monoalkyl phosphate - Aminopyrimidine - Alkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - Fatty amide - Monosaccharide - N-acyl-amine - N-substituted imidazole - Pyrimidine - Hydroxy acid - Imidolactam - Heteroaromatic compound - Imidazole - Azole - Tetrahydrofuran - Amino acid or derivatives - Amino acid - Carboxamide group - Hemiaminal - Carbothioic s-ester - Thiocarboxylic acid ester - Secondary carboxylic acid amide - Secondary alcohol - Secondary amine - Thiocarboxylic acid or derivatives - Alkanolamine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Monocarboxylic acid or derivatives - Primary amine - Organosulfur compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Organic nitrogen compound - Alcohol - Organic oxygen compound - Carbonyl group - 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