Compound Identification
SMILES
CC(C)(COP([O-])(=O)OP([O-])(=O)OCC1OC(C(O)C1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)C1=C(O)C2=CC=CC=C2C(O)=C1
InChIKey
InChIKey=PYTINLGPKDJURZ-UHFFFAOYSA-J
Formula
C32H38N7O19P3S
Mass
949.67
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
- 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
Not available
Direct Parent
Acyl CoAs
Alternative Parents
Coenzyme A and derivatives Purine ribonucleoside diphosphates Pentose phosphates Ribonucleoside 3'-phosphates Naphthalenecarboxylic acids and derivatives Beta amino acids and derivatives Glycosylamines Naphthols and derivatives Salicylic acid and derivatives 6-aminopurines Monosaccharide phosphates Organic pyrophosphates Thiobenzoic acids and derivatives Hydroquinones 1-hydroxy-2-unsubstituted benzenoids Aminopyrimidines and derivatives Imidolactams N-acyl amines N-substituted imidazoles Alkyl phosphates Tetrahydrofurans Heteroaromatic compounds Vinylogous acids Secondary carboxylic acid amides Secondary alcohols Carbothioic S-esters Thioesters Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Primary amines Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coenzyme a or derivatives - Purine ribonucleoside 3',5'-bisphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside diphosphate - Pentose-5-phosphate - Pentose phosphate - Ribonucleoside 3'-phosphate - 2-naphthalenecarboxylic acid or derivatives - Beta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - 1-naphthol - 6-aminopurine - Salicylic acid or derivatives - Organic pyrophosphate - Naphthalene - Monosaccharide phosphate - Thiobenzoic acid or derivatives - Imidazopyrimidine - Purine - Hydroquinone - Aminopyrimidine - 1-hydroxy-2-unsubstituted benzenoid - N-substituted imidazole - Fatty amide - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - N-acyl-amine - Benzenoid - Monosaccharide - Imidolactam - Azole - Heteroaromatic compound - Imidazole - Vinylogous acid - Tetrahydrofuran - Secondary carboxylic acid amide - Secondary alcohol - Thiocarboxylic acid ester - Carboxamide group - Carbothioic s-ester - Amino acid or derivatives - Thiocarboxylic acid or derivatives - Sulfenyl compound - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Oxacycle - Primary amine - Organosulfur compound - Alcohol - Hydrocarbon derivative - Organic oxide - Amine - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen 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
META CYC (CPD-9925) : a small molecule