Compound Identification
SMILES
CC(C)(COP([O-])(=O)OP([O-])(=O)OCC1OC(C(O)C1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCC([O-])=O
InChIKey
InChIKey=LYCRXMTYUZDUGA-UHFFFAOYSA-I
Formula
C28H41N7O19P3S
Mass
904.65
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
-
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 Glycosylamines Beta amino acids and derivatives 6-aminopurines Monosaccharide phosphates Organic pyrophosphates Medium-chain fatty acids Hydroxy fatty acids Aminopyrimidines and derivatives N-substituted imidazoles N-acyl amines Alkyl phosphates Imidolactams Heteroaromatic compounds Tetrahydrofurans Carbothioic S-esters Thioesters Secondary carboxylic acid amides Amino acids Secondary alcohols Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Organopnictogen compounds Primary amines Hydrocarbon derivatives 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 - Pentose-5-phosphate - Ribonucleoside 3'-phosphate - Beta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Organic pyrophosphate - Imidazopyrimidine - Purine - Medium-chain fatty acid - Aminopyrimidine - Hydroxy fatty acid - Fatty acid - Fatty amide - Imidolactam - Monosaccharide - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Alkyl phosphate - Phosphoric acid ester - Pyrimidine - Tetrahydrofuran - Imidazole - Heteroaromatic compound - Azole - Thiocarboxylic acid ester - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Amino acid - Carbothioic s-ester - Amino acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Thiocarboxylic acid or derivatives - Monocarboxylic acid or derivatives - Sulfenyl compound - Organosulfur compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Primary amine - Alcohol - Amine - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Hydrocarbon derivative - 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
META CYC (CPD-558) : a small molecule