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@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C1=CC=CC=C1
InChIKey
InChIKey=NHDPIYICCBKNNJ-FUEUKBNZSA-J
Formula
C30H38N7O18P3S
Mass
909.65
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
- Level 6 3-oxo-acyl CoAs
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Level 5
Acyl CoAs
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Subclass
Fatty acyl thioesters
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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 Alkyl-phenylketones Beta amino acids and derivatives Glycosylamines 6-aminopurines Monosaccharide phosphates Organic pyrophosphates Aryl alkyl ketones Benzoyl derivatives Aminopyrimidines and derivatives Alkyl phosphates N-substituted imidazoles N-acyl amines Imidolactams 1,3-dicarbonyl compounds Oxolanes Heteroaromatic compounds Thioesters Secondary carboxylic acid amides Carbothioic S-esters Secondary alcohols Azacyclic compounds Oxacyclic compounds Sulfenyl compounds Primary amines Hydrocarbon derivatives Organic oxides Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coenzyme a or derivatives - Purine ribonucleoside 3',5'-bisphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside diphosphate - Pentose phosphate - Ribonucleoside 3'-phosphate - Pentose-5-phosphate - Alkyl-phenylketone - Beta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Organic pyrophosphate - Imidazopyrimidine - Phenylketone - Purine - Aryl alkyl ketone - Aryl ketone - Benzoyl - Aminopyrimidine - Fatty amide - Imidolactam - Benzenoid - Monosaccharide - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Alkyl phosphate - Monocyclic benzene moiety - 1,3-dicarbonyl compound - Phosphoric acid ester - Pyrimidine - Oxolane - Azole - Imidazole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Secondary alcohol - Amino acid or derivatives - Carbothioic s-ester - Ketone - Thiocarboxylic acid ester - Azacycle - Sulfenyl compound - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Thiocarboxylic acid or derivatives - Hydrocarbon derivative - Primary amine - Organic nitrogen compound - Alcohol - Carbonyl group - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Organic anion - 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
Not available