Compound Identification
SMILES
CC(C)=CCCC(O)(CC(O)=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=ATTJZXQHBIJXLV-UHFFFAOYSA-N
Formula
C32H52N7O20P3S
Mass
979.78
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 3-hydroxy-3-alkylglutaryl 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
3-hydroxy-3-alkylglutaryl CoAs
Alternative Parents
Medium-chain fatty acyl CoAs 2,3,4-saturated fatty acyl CoAs Coenzyme A and derivatives Purine ribonucleoside diphosphates Pentose phosphates Ribonucleoside 3'-phosphates Glycosylamines Beta amino acids and derivatives Bicyclic monoterpenoids 6-aminopurines Organic pyrophosphates Monosaccharide phosphates Aromatic monoterpenoids Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Aminopyrimidines and derivatives Hydroxy fatty acids Monoalkyl phosphates N-substituted imidazoles N-acyl amines Imidolactams Unsaturated fatty acids Tertiary alcohols Oxolanes Heteroaromatic compounds Amino acids Thioesters Carbothioic S-esters Secondary alcohols Secondary carboxylic acid amides Oxacyclic compounds Carboxylic acids Azacyclic compounds Sulfenyl compounds Monocarboxylic acids and derivatives Carbonyl compounds Primary amines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coenzyme a or derivatives - Purine ribonucleoside diphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside 3',5'-bisphosphate - Ribonucleoside 3'-phosphate - Pentose-5-phosphate - Pentose phosphate - Beta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Aromatic monoterpenoid - Pentose monosaccharide - Bicyclic monoterpenoid - Organic pyrophosphate - Monoterpenoid - Monosaccharide phosphate - Purine - Medium-chain hydroxy acid - Imidazopyrimidine - Medium-chain fatty acid - Aminopyrimidine - Monoalkyl phosphate - Hydroxy fatty acid - Fatty amide - Fatty acid - Imidolactam - Monosaccharide - Alkyl phosphate - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Unsaturated fatty acid - Phosphoric acid ester - Pyrimidine - Tertiary alcohol - Oxolane - Heteroaromatic compound - Azole - Imidazole - Secondary alcohol - Secondary carboxylic acid amide - Thiocarboxylic acid ester - Amino acid - Carboxamide group - Carbothioic s-ester - Amino acid or derivatives - Thiocarboxylic acid or derivatives - Monocarboxylic acid or derivatives - Azacycle - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Primary amine - Organosulfur compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Alcohol - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-hydroxy-3-alkylglutaryl coas. These are alpha, omega dicarboxyacyl-CoA that result from the formal condensation of the thiol group of coenzyme A with one of the carboxy groups of 3-hydroxy-3-alkylglutaric acid.
External Descriptors
Not available