Compound Identification
SMILES
CC(C)(COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)C(O)C(=O)NCCC(=O)NCCSC(=O)C[C@H](O)CC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O
InChIKey
InChIKey=JFQGNCZAHDITHX-ALLXGBFRSA-N
Formula
C41H64N7O22P3S
Mass
1131.97
Taxonomic Classification
Taxonomy Tree
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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
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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 Leukotrienes Purine ribonucleoside diphosphates Hydroxyeicosatetraenoic acids Ribonucleoside 3'-phosphates Pentose phosphates Long-chain fatty acids Glycosylamines Beta amino acids and derivatives 6-aminopurines Monosaccharide phosphates Organic pyrophosphates Hydroxy fatty acids Thia fatty acids Monoalkyl phosphates Aminopyrimidines and derivatives N-substituted imidazoles N-acyl amines Unsaturated fatty acids Imidolactams Heteroaromatic compounds Oxolanes Carbothioic S-esters Amino acids Thioesters Secondary carboxylic acid amides Secondary alcohols Sulfenyl compounds Polyols Oxacyclic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Primary amines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coenzyme a or derivatives - Leukotriene - Purine ribonucleoside diphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside 3',5'-bisphosphate - Hydroxyeicosatetraenoic acid - Eicosanoid - Pentose phosphate - Pentose-5-phosphate - Ribonucleoside 3'-phosphate - Long-chain fatty acid - Glycosyl compound - Beta amino acid or derivatives - N-glycosyl compound - Monosaccharide phosphate - Organic pyrophosphate - Pentose monosaccharide - 6-aminopurine - Imidazopyrimidine - Purine - Aminopyrimidine - Hydroxy fatty acid - Monoalkyl phosphate - Thia fatty acid - Pyrimidine - Fatty amide - Unsaturated fatty acid - Fatty acid - Monosaccharide - N-acyl-amine - Phosphoric acid ester - Alkyl phosphate - N-substituted imidazole - Organic phosphoric acid derivative - Imidolactam - Azole - Heteroaromatic compound - Imidazole - Oxolane - Carbothioic s-ester - Amino acid or derivatives - Carboxamide group - Thiocarboxylic acid ester - Amino acid - Secondary carboxylic acid amide - Secondary alcohol - Thiocarboxylic acid or derivatives - Polyol - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Sulfenyl compound - Oxacycle - Azacycle - Organopnictogen compound - Organosulfur compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Primary amine - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Amine - Organic oxygen compound - Carbonyl group - 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