Compound Identification
SMILES
CNc1ccccc1C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1OC(C(O)C1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
InChIKey
InChIKey=DYCZFHXLKCLDQL-UHFFFAOYSA-J
Formula
C29H39N8O17P3S
Mass
896.65
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 Glycosylamines Beta amino acids and derivatives Monosaccharide phosphates 6-aminopurines Aminobenzoic acids and derivatives Organic pyrophosphates Thiobenzoic acids and derivatives Benzoyl derivatives Aniline and substituted anilines Phenylalkylamines Aminopyrimidines and derivatives Secondary alkylarylamines Alkyl phosphates N-substituted imidazoles N-acyl amines Imidolactams Tetrahydrofurans Heteroaromatic compounds Vinylogous amides Thioesters Secondary carboxylic acid amides Secondary alcohols Carbothioic S-esters Oxacyclic compounds Azacyclic compounds Sulfenyl compounds Carbonyl compounds Organopnictogen compounds Primary amines Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coenzyme a or derivatives - Purine ribonucleoside diphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside 3',5'-bisphosphate - Pentose phosphate - Pentose-5-phosphate - Ribonucleoside 3'-phosphate - N-glycosyl compound - Glycosyl compound - Beta amino acid or derivatives - Monosaccharide phosphate - Aminobenzoic acid or derivatives - 6-aminopurine - Organic pyrophosphate - Imidazopyrimidine - Purine - Thiobenzoic acid or derivatives - Benzoic acid or derivatives - Phenylalkylamine - Aniline or substituted anilines - Benzoyl - Aminopyrimidine - Secondary aliphatic/aromatic amine - Alkyl phosphate - Monocyclic benzene moiety - Phosphoric acid ester - Benzenoid - Pyrimidine - N-acyl-amine - Imidolactam - Monosaccharide - Fatty amide - N-substituted imidazole - Organic phosphoric acid derivative - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Tetrahydrofuran - Thiocarboxylic acid ester - Carbothioic s-ester - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Thiocarboxylic acid or derivatives - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Oxacycle - Secondary amine - Organic nitrogen compound - Alcohol - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - 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 (N-METHYLANTHRANILOYL-COA) : a small molecule