Compound Identification
SMILES
C[C@H](CC[C@@H](O)[C@@H](C)C(=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)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
InChIKey
InChIKey=PXHZOQNODUPJKC-MTLGCJAASA-N
Formula
C48H80N7O21P3S
Mass
1216.18
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
Direct Parent
(R)-3-hydroxyacyl CoAs
Alternative Parents
Medium-chain fatty acyl CoAs 2,3,4-saturated fatty acyl CoAs Coenzyme A and derivatives Tetrahydroxy bile acids, alcohols and derivatives Steroidal glycosides Purine ribonucleoside diphosphates 12-hydroxysteroids 3-alpha-hydroxysteroids 7-hydroxysteroids Ribonucleoside 3'-phosphates Pentose phosphates Glycosylamines Beta amino acids and derivatives Monosaccharide phosphates 6-aminopurines Organic pyrophosphates Monoalkyl phosphates Aminopyrimidines and derivatives N-substituted imidazoles N-acyl amines Imidolactams Heteroaromatic compounds Tetrahydrofurans Thioesters Secondary carboxylic acid amides Secondary alcohols Carbothioic S-esters Cyclic alcohols and derivatives Oxacyclic compounds Azacyclic compounds Polyols Sulfenyl compounds Carbonyl compounds Organopnictogen compounds Primary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coenzyme a or derivatives - Tetrahydroxy bile acid, alcohol, or derivatives - Steroidal glycoside - Purine ribonucleoside diphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside 3',5'-bisphosphate - 24-hydroxysteroid - Hydroxy bile acid, alcohol, or derivatives - Cholane-skeleton - Bile acid, alcohol, or derivatives - 3-alpha-hydroxysteroid - 12-hydroxysteroid - 3-hydroxysteroid - 7-hydroxysteroid - Hydroxysteroid - Steroid - Pentose-5-phosphate - Ribonucleoside 3'-phosphate - Pentose phosphate - Beta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Organic pyrophosphate - Pentose monosaccharide - Imidazopyrimidine - Purine - Aminopyrimidine - Monoalkyl phosphate - Fatty amide - Alkyl phosphate - Monosaccharide - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Pyrimidine - Phosphoric acid ester - Imidolactam - Azole - Cyclic alcohol - Tetrahydrofuran - Imidazole - Heteroaromatic compound - Carbothioic s-ester - Carboxamide group - Amino acid or derivatives - Secondary alcohol - Secondary carboxylic acid amide - Thiocarboxylic acid ester - Polyol - Organoheterocyclic compound - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Thiocarboxylic acid or derivatives - Oxacycle - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Amine - Primary amine - Organic nitrogen compound - Alcohol - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as (r)-3-hydroxyacyl coas. These are organic compounds containing a (R)-3-hydroxyl acylated coenzyme A derivative.
External Descriptors
CHEBI:52050 : 3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oyl-CoA