Compound Identification
SMILES
CC(C)=CCCC(O)(CC([O-])=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=ATTJZXQHBIJXLV-QECJPOQRSA-M
Formula
C32H51N7O20P3S
Mass
978.77
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 Unsaturated fatty acids Imidolactams N-substituted imidazoles N-acyl amines Tertiary alcohols Oxolanes Heteroaromatic compounds Amino acids Thioesters Carboxylic acid salts Carbothioic S-esters Secondary alcohols Secondary carboxylic acid amides Oxacyclic compounds Carboxylic acids Azacyclic compounds Sulfenyl compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Primary amines Organic oxides Organic anions
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 - Bicyclic monoterpenoid - Monosaccharide phosphate - Monoterpenoid - Organic pyrophosphate - Pentose monosaccharide - Purine - Imidazopyrimidine - Medium-chain hydroxy acid - Medium-chain fatty acid - Hydroxy fatty acid - Monoalkyl phosphate - Aminopyrimidine - Fatty acid - Monosaccharide - Imidolactam - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Fatty amide - Alkyl phosphate - Phosphoric acid ester - Unsaturated fatty acid - Pyrimidine - Oxolane - Imidazole - Tertiary alcohol - Azole - Heteroaromatic compound - Carboxamide group - Carboxylic acid salt - Amino acid - Secondary carboxylic acid amide - Secondary alcohol - Amino acid or derivatives - Carbothioic s-ester - Thiocarboxylic acid ester - Thiocarboxylic acid or derivatives - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Amine - Organosulfur compound - Carbonyl group - Organic oxide - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Alcohol - Organic oxygen compound - Primary amine - Organic anion - 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