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)n1cnc2c(N)ncnc12)C(O)C(=O)NCCC(=O)NCCSC(=O)C(\CC(O)=O)=C\c1ccccc1
InChIKey
InChIKey=CIZCKPNGZPENDV-UESUWDJHSA-N
Formula
C32H44N7O19P3S
Mass
955.72
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 Pentose phosphates Ribonucleoside 3'-phosphates Cinnamic acids and derivatives Glycosylamines Beta amino acids and derivatives 6-aminopurines Monosaccharide phosphates Organic pyrophosphates Aminopyrimidines and derivatives Thia fatty acids Monoalkyl phosphates Hydroxy fatty acids Benzene and substituted derivatives N-substituted imidazoles N-acyl amines Imidolactams Heteroaromatic compounds Oxolanes Secondary carboxylic acid amides Carbothioic S-esters Thioesters Secondary alcohols Amino acids Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Carbonyl compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
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 - Cinnamic acid or derivatives - Beta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - Organic pyrophosphate - Pentose monosaccharide - Monosaccharide phosphate - 6-aminopurine - Purine - Imidazopyrimidine - Aminopyrimidine - Monoalkyl phosphate - Thia fatty acid - Hydroxy fatty acid - Fatty amide - Pyrimidine - Monocyclic benzene moiety - Alkyl phosphate - Monosaccharide - N-acyl-amine - N-substituted imidazole - Phosphoric acid ester - Benzenoid - Organic phosphoric acid derivative - Imidolactam - Azole - Imidazole - Heteroaromatic compound - Oxolane - Amino acid or derivatives - Carbothioic s-ester - Thiocarboxylic acid ester - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Oxacycle - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Thiocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Primary amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Alcohol - Amine - Organopnictogen compound - Organosulfur compound - 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