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)CCC1=CC=C(O)C=C1
InChIKey
InChIKey=KGYNXBHEANIYOS-FUEUKBNZSA-J
Formula
C30H40N7O18P3S
Mass
911.66
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
- Level 5 Acyl CoAs
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Subclass
Fatty acyl thioesters
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Class
Fatty Acyls
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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
Not available
Direct Parent
Acyl CoAs
Alternative Parents
Coenzyme A and derivatives Purine ribonucleoside diphosphates Ribonucleoside 3'-phosphates Pentose phosphates Beta amino acids and derivatives Glycosylamines 6-aminopurines Monosaccharide phosphates Organic pyrophosphates 1-hydroxy-2-unsubstituted benzenoids Aminopyrimidines and derivatives Alkyl phosphates Benzene and substituted derivatives Imidolactams N-acyl amines N-substituted imidazoles Heteroaromatic compounds Tetrahydrofurans Thioesters Secondary alcohols Carbothioic S-esters Secondary carboxylic acid amides Oxacyclic compounds Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Primary amines Carbonyl compounds Organic oxides Organopnictogen compounds Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coenzyme a or derivatives - Purine ribonucleoside 3',5'-bisphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside diphosphate - Ribonucleoside 3'-phosphate - Pentose phosphate - Pentose-5-phosphate - Beta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Organic pyrophosphate - Imidazopyrimidine - Purine - Aminopyrimidine - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl phosphate - Monocyclic benzene moiety - Fatty amide - Monosaccharide - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Imidolactam - Benzenoid - Pyrimidine - Tetrahydrofuran - Imidazole - Heteroaromatic compound - Azole - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Carbothioic s-ester - Thiocarboxylic acid ester - Amino acid or derivatives - Oxacycle - Azacycle - Sulfenyl compound - Organoheterocyclic compound - Carboxylic acid derivative - Thiocarboxylic acid or derivatives - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Alcohol - Amine - Carbonyl group - Organic nitrogen compound - Organosulfur compound - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as acyl coas. These are organic compounds containing a coenzyme A substructure linked to an acyl chain.
External Descriptors
Not available