Compound Identification
SMILES
C[C@H](CCC(O)C(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]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
InChIKey=LPAPCIXIEIQRQA-OQRFGCRRSA-N
Formula
C48H76N7O19P3S
Mass
1180.15
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
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Level 5
Acyl CoAs
- Level 6 3-hydroxyacyl CoAs
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Level 5
Acyl CoAs
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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
2,3,4-saturated fatty acyl CoAs Medium-chain fatty acyl CoAs Coenzyme A and derivatives Steroidal glycosides Purine ribonucleoside diphosphates Monohydroxy bile acids, alcohols and derivatives 3-oxo delta-4-steroids Hydroxysteroids Delta-4-steroids Ribonucleoside 3'-phosphates Pentose phosphates Beta amino acids and derivatives Glycosylamines Organic pyrophosphates 6-aminopurines Monosaccharide phosphates Aminopyrimidines and derivatives Cyclohexenones Monoalkyl phosphates Imidolactams N-acyl amines N-substituted imidazoles Heteroaromatic compounds Oxolanes Thioesters Secondary alcohols Secondary carboxylic acid amides Carbothioic S-esters Oxacyclic compounds Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Primary amines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coenzyme a or derivatives - Steroidal glycoside - Purine ribonucleoside diphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside 3',5'-bisphosphate - 24-hydroxysteroid - Hydroxy bile acid, alcohol, or derivatives - Monohydroxy bile acid, alcohol, or derivatives - Bile acid, alcohol, or derivatives - Oxosteroid - 3-oxo-delta-4-steroid - 3-oxosteroid - Delta-4-steroid - Steroid - Pentose phosphate - Pentose-5-phosphate - Ribonucleoside 3'-phosphate - Beta amino acid or derivatives - N-glycosyl compound - Glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Organic pyrophosphate - Purine - Imidazopyrimidine - Monoalkyl phosphate - Cyclohexenone - Aminopyrimidine - Pyrimidine - Alkyl phosphate - Phosphoric acid ester - Monosaccharide - Imidolactam - N-acyl-amine - N-substituted imidazole - Fatty amide - Organic phosphoric acid derivative - Imidazole - Heteroaromatic compound - Oxolane - Azole - Cyclic ketone - Secondary alcohol - Ketone - Thiocarboxylic acid ester - Carbothioic s-ester - Carboxamide group - Secondary carboxylic acid amide - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Carbonyl group - Alcohol - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - 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
Not available