Compound Identification
SMILES
CC(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(O)C(=O)NCCC(=O)NCCSC(=O)C(CC(O)=O)C(=O)C1=CC2=CC=CC=C2C=C1
InChIKey
InChIKey=GXAPHCAQTPKOBU-NWIMEVMBSA-N
Formula
C36H46N7O20P3S
Mass
1021.77
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-oxo-acyl 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-oxo-acyl CoAs
Alternative Parents
Coenzyme A and derivatives Purine ribonucleoside diphosphates Ribonucleoside 3'-phosphates Pentose phosphates Glycosylamines Butyrophenones Beta amino acids and derivatives Monosaccharide phosphates Naphthalenes 6-aminopurines Organic pyrophosphates Gamma-keto acids and derivatives Aryl alkyl ketones Monoalkyl phosphates Hydroxy fatty acids Thia fatty acids Aminopyrimidines and derivatives N-substituted imidazoles N-acyl amines 1,3-dicarbonyl compounds Imidolactams Tetrahydrofurans Heteroaromatic compounds Thioesters Secondary alcohols Secondary carboxylic acid amides Carbothioic S-esters Amino acids Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Primary amines Organopnictogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coenzyme a or derivatives - Purine ribonucleoside 3',5'-bisphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside diphosphate - Pentose phosphate - Pentose-5-phosphate - Ribonucleoside 3'-phosphate - Beta amino acid or derivatives - Butyrophenone - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Naphthalene - Organic pyrophosphate - Pentose monosaccharide - Imidazopyrimidine - Purine - Aryl alkyl ketone - Aryl ketone - Gamma-keto acid - Aminopyrimidine - Monoalkyl phosphate - Hydroxy fatty acid - Thia fatty acid - Imidolactam - Fatty amide - Benzenoid - Alkyl phosphate - 1,3-dicarbonyl compound - Keto acid - Monosaccharide - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Tetrahydrofuran - Azole - Imidazole - Heteroaromatic compound - Secondary alcohol - Secondary carboxylic acid amide - Amino acid - Carboxamide group - Thiocarboxylic acid ester - Carbothioic s-ester - Amino acid or derivatives - Ketone - Carboxylic acid derivative - Thiocarboxylic acid or derivatives - Carboxylic acid - Oxacycle - Azacycle - Sulfenyl compound - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organonitrogen compound - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Amine - Organic oxide - Primary amine - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-oxo-acyl coas. These are organic compounds containing a 3-oxo acylated coenzyme A derivative.
External Descriptors
CHEBI:34886 : polyol