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-J
Formula
C48H72N7O19P3S
Mass
1176.12
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
Subclass
Fatty acyl thioesters
-
Level 5
Acyl CoAs
- Level 6 3-hydroxyacyl CoAs
-
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
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 Glycosylamines Beta amino acids and derivatives 6-aminopurines Organic pyrophosphates Monosaccharide phosphates Aminopyrimidines and derivatives Cyclohexenones Alkyl phosphates N-substituted imidazoles N-acyl amines Imidolactams Oxolanes Heteroaromatic compounds Secondary alcohols Thioesters Carbothioic S-esters Secondary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Sulfenyl compounds Primary amines Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coenzyme a or derivatives - Purine ribonucleoside diphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside 3',5'-bisphosphate - Steroidal glycoside - 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 - Organic pyrophosphate - 6-aminopurine - Monosaccharide phosphate - Imidazopyrimidine - Purine - Cyclohexenone - Aminopyrimidine - Pyrimidine - Phosphoric acid ester - Monosaccharide - Alkyl phosphate - N-acyl-amine - N-substituted imidazole - Fatty amide - Organic phosphoric acid derivative - Imidolactam - Imidazole - Heteroaromatic compound - Oxolane - Azole - Carboxamide group - Thiocarboxylic acid ester - Secondary alcohol - Ketone - Cyclic ketone - Amino acid or derivatives - Carbothioic s-ester - Secondary carboxylic acid amide - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Thiocarboxylic acid or derivatives - Alcohol - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Primary amine - 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
Not available