Compound Identification
SMILES
CC\C=C/CC[C@@H](O)C\C=C/CCCCCCC[C@@H](O)CC(=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
InChIKey
InChIKey=XTSCLYCOOJHTTR-KTFRUSDTSA-J
Formula
C41H66N7O19P3S
Mass
1085.99
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
-
Level 5
Acyl CoAs
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Level 6
3-hydroxyacyl CoAs
- Level 7 (R)-3-hydroxyacyl CoAs
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Level 6
3-hydroxyacyl CoAs
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Level 5
Acyl CoAs
-
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 - 3-hydroxyacyl CoAs - (R)-3-hydroxyacyl CoAs
Direct Parent
Long-chain (3R)-3-hydroxyacyl 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 Beta amino acids and derivatives Glycosylamines 6-aminopurines Organic pyrophosphates Monosaccharide phosphates Aminopyrimidines and derivatives Alkyl phosphates Imidolactams N-acyl amines N-substituted imidazoles Heteroaromatic compounds Oxolanes Carbothioic S-esters Secondary alcohols Thioesters Secondary carboxylic acid amides Oxacyclic compounds Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Primary amines Carbonyl compounds Organic oxides 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 - Organic pyrophosphate - Monosaccharide phosphate - 6-aminopurine - Imidazopyrimidine - Purine - Aminopyrimidine - Organic phosphoric acid derivative - Monosaccharide - Imidolactam - N-acyl-amine - Fatty amide - Phosphoric acid ester - Alkyl phosphate - N-substituted imidazole - Pyrimidine - Heteroaromatic compound - Azole - Oxolane - Imidazole - Thiocarboxylic acid ester - Amino acid or derivatives - Carboxamide group - Carbothioic s-ester - Secondary alcohol - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thiocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Organic oxide - Organic nitrogen compound - Primary amine - Carbonyl group - Hydrocarbon derivative - Alcohol - Amine - 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 (3r)-3-hydroxyacyl coas. These are organic compounds containing a (R)-3-hydroxyl acylated coenzyme A derivative, to which the acyl chain carries between 13 and 21 carbon atoms.
External Descriptors
Not available