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)CC(O)C1C2CCC(=O)C2(C)CCC1O
InChIKey
InChIKey=GXYIOJONRQGUCV-UHFFFAOYSA-J
Formula
C34H50N7O20P3S
Mass
1001.79
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
-
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 Organic pyrophosphates Monosaccharide phosphates Aminopyrimidines and derivatives Alkyl phosphates Imidolactams N-substituted imidazoles N-acyl amines Tetrahydrofurans Heteroaromatic compounds Thioesters Secondary carboxylic acid amides Secondary alcohols Carbothioic S-esters Cyclic alcohols and derivatives Ketones Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Primary amines Organopnictogen compounds 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 - Pentose-5-phosphate - Ribonucleoside 3'-phosphate - Beta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Organic pyrophosphate - Imidazopyrimidine - Purine - Aminopyrimidine - Imidolactam - Alkyl phosphate - Fatty amide - Monosaccharide - N-acyl-amine - N-substituted imidazole - Pyrimidine - Organic phosphoric acid derivative - Phosphoric acid ester - Azole - Cyclic alcohol - Imidazole - Tetrahydrofuran - Heteroaromatic compound - Carboxamide group - Thiocarboxylic acid ester - Ketone - Carbothioic s-ester - Secondary alcohol - Secondary carboxylic acid amide - Amino acid or derivatives - Oxacycle - Carboxylic acid derivative - Azacycle - Sulfenyl compound - Organoheterocyclic compound - Thiocarboxylic acid or derivatives - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Organooxygen compound - Carbonyl group - Primary amine - Alcohol - Amine - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - 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-13757) : a small molecule