Compound Identification
SMILES
CC(=C)C(CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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)CC([O-])=O
InChIKey
InChIKey=AAKIIQMDPGWYFD-IHEBCORQSA-M
Formula
C31H49N7O19P3S
Mass
948.74
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 2,3,4-saturated fatty 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
Direct Parent
2,3,4-saturated fatty acyl CoAs
Alternative Parents
Medium-chain fatty acyl CoAs Coenzyme A and derivatives Purine ribonucleoside diphosphates Pentose phosphates Ribonucleoside 3'-phosphates Beta amino acids and derivatives Glycosylamines 6-aminopurines Organic pyrophosphates Monosaccharide phosphates Medium-chain fatty acids Aminopyrimidines and derivatives Hydroxy fatty acids Monoalkyl phosphates Unsaturated fatty acids N-substituted imidazoles N-acyl amines Imidolactams Oxolanes Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Amino acids Carbothioic S-esters Carboxylic acid salts Thioesters Carboxylic acids Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds 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 - Beta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - Monosaccharide phosphate - Organic pyrophosphate - 6-aminopurine - Pentose monosaccharide - Imidazopyrimidine - Purine - Medium-chain fatty acid - Hydroxy fatty acid - Monoalkyl phosphate - Aminopyrimidine - Fatty amide - Imidolactam - Monosaccharide - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Alkyl phosphate - Unsaturated fatty acid - Phosphoric acid ester - Fatty acid - Pyrimidine - Oxolane - Azole - Imidazole - Heteroaromatic compound - Amino acid or derivatives - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Thiocarboxylic acid ester - Amino acid - Carbothioic s-ester - Carboxylic acid salt - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Thiocarboxylic acid or derivatives - Hydrocarbon derivative - Primary amine - Organic nitrogen compound - Alcohol - Amine - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2,3,4-saturated fatty acyl coas. These are acyl-CoAs carrying a 2,3,4-saturated fatty acyl chain.
External Descriptors
Not available