Compound Identification
SMILES
CC(C)(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1OC(C(O)C1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N
InChIKey
InChIKey=PEVZKILCBDEOBT-UHFFFAOYSA-J
Formula
C26H40N7O18P3S
Mass
863.62
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
Subclass
Fatty acyl thioesters
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Level 5
Acyl CoAs
- 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
Direct Parent
3-hydroxyacyl CoAs
Alternative Parents
Coenzyme A and derivatives Purine ribonucleoside diphosphates Ribonucleoside 3'-phosphates Pentose phosphates Beta amino acids and derivatives Glycosylamines 6-aminopurines Monosaccharide phosphates Organic pyrophosphates Aminopyrimidines and derivatives Alkyl phosphates Imidolactams N-acyl amines N-substituted imidazoles Tertiary alcohols Heteroaromatic compounds Oxolanes Thioesters Secondary alcohols Secondary carboxylic acid amides Carbothioic S-esters Azacyclic compounds Sulfenyl compounds Oxacyclic compounds Primary amines Hydrocarbon derivatives 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 - Purine - Imidazopyrimidine - Aminopyrimidine - N-acyl-amine - Imidolactam - Alkyl phosphate - N-substituted imidazole - Organic phosphoric acid derivative - Monosaccharide - Pyrimidine - Fatty amide - Phosphoric acid ester - Tertiary alcohol - Azole - Oxolane - Imidazole - Heteroaromatic compound - Secondary alcohol - Amino acid or derivatives - Thiocarboxylic acid ester - Carbothioic s-ester - Secondary carboxylic acid amide - Carboxamide group - 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 3-hydroxyacyl coas. These are organic compounds containing a 3-hydroxyl acylated coenzyme A derivative.
External Descriptors
META CYC (3-HYDROXY-ISOVALERYL-COA) : a CoA derivative