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=CC=CC=C1N
InChIKey
InChIKey=XLURBJBQJZCJHJ-UHFFFAOYSA-J
Formula
C28H37N8O17P3S
Mass
882.63
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 Aminobenzoic acids and derivatives Monosaccharide phosphates Organic pyrophosphates Thiobenzoic acids and derivatives Aniline and substituted anilines Benzoyl derivatives Aminopyrimidines and derivatives Alkyl phosphates Imidolactams N-acyl amines N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Tetrahydrofurans Carbothioic S-esters Secondary alcohols Secondary carboxylic acid amides Thioesters Oxacyclic compounds Azacyclic compounds Sulfenyl compounds Organopnictogen compounds Hydrocarbon derivatives Primary amines Carbonyl compounds 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 - N-glycosyl compound - Glycosyl compound - Beta amino acid or derivatives - Monosaccharide phosphate - Aminobenzoic acid or derivatives - Organic pyrophosphate - 6-aminopurine - Imidazopyrimidine - Benzoic acid or derivatives - Thiobenzoic acid or derivatives - Purine - Aniline or substituted anilines - Benzoyl - Aminopyrimidine - Monocyclic benzene moiety - Monosaccharide - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Imidolactam - Benzenoid - Fatty amide - Phosphoric acid ester - Alkyl phosphate - Pyrimidine - Imidazole - Heteroaromatic compound - Azole - Vinylogous amide - Tetrahydrofuran - Amino acid or derivatives - Carboxamide group - Carbothioic s-ester - Thiocarboxylic acid ester - Secondary alcohol - Secondary carboxylic acid amide - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Primary amine - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen 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 (2-AMINOBENZOYL-COA) : an acyl-CoA