Compound Identification
SMILES
COc1cccc(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=CCNOc2c(O)cccc2CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CNOP(O)(=O)OC2C(COP(O)(=O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C(C)CCNOP(O)(=O)OC3C(COP(O)(=O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C(C)C(=O)CNOP(O)(=O)OC4C(COP(O)(=O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C(C)C(O)CNOC(=O)C(=O)CCC(O)=[O]NOCC(O)C(O)C(O)C(=O)C(O)=[O]NOC(=O)C(=O)C(C)CNOC(=O)C(=O)CCC(=O)NNOC(=O)C(=O)C(C)CCNOP(O)(=O)OCC(O)C(O)CC(=O)C(O)=[O]NOC(=O)C(O)C(O)=[O]N[O-]C(=O)C(O)C([O-])=O)OC(C4O)n4cnc5c(N)ncnc45)OC(C3O)n3cnc4c(N)ncnc34)OC(C2O)n2cnc3c(N)ncnc23)c1ONCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCc1ccccc1ONCCC(=O)C(=O)ON[O]=C(O)C(CO)OP(O)(=O)ONCC(CO)(OP(O)(O)=O)C(O)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1ON[O]=C(O)C(COP(O)(O)=O)OP(O)(=O)ONOC1C=C(Cl)C(Cl)C=C1[Cl]NCC(N)CC(N)C(O)=O)n1ccc(N)nc1=O
InChIKey
InChIKey=JLTOTRLIMSOSOE-UHFFFAOYSA-M
Formula
C290H451Cl3N46O139P16S3
Mass
7504.09
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
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Level 5
Acyl CoAs
- Level 6 3-oxo-acyl CoAs
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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
Acyl CoAs
Direct Parent
3-oxo-acyl CoAs
Alternative Parents
Coenzyme A and derivatives Tetraterpenoids Purine ribonucleoside diphosphates Pyrimidine ribonucleoside diphosphates Ribonucleoside 3'-phosphates Pentose phosphates Gamma amino acids and derivatives Glycosylamines Beta amino acids and derivatives Organic pyrophosphates Monosaccharide phosphates Alpha amino acids 6-aminopurines N-alkyl-O-phenylhydroxylamines Phosphoethanolamines Phenoxy compounds Methoxybenzenes Gamma-keto acids and derivatives Anisoles Sugar acids and derivatives Pyrimidones Monoalkyl phosphates Hydroxy fatty acids Beta hydroxy acids and derivatives Aminopyrimidines and derivatives Amino fatty acids Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids N-substituted imidazoles N-acyl amines Imidolactams Hydropyrimidines Beta-hydroxy ketones Alpha-keto acids and derivatives Alpha hydroxy acids and derivatives Acyloins 1,3-dicarbonyl compounds Tetrahydrofurans Heteroaromatic compounds Alpha-hydroxy ketones Thioesters Secondary carboxylic acid amides Secondary alcohols Carboxylic acid salts Carbothioic S-esters Amino acids Vinyl chlorides Sulfenyl compounds Polyols Oxacyclic compounds N-organohydroxylamines Chloroalkenes Carboxylic acids Carboximidic acids Azacyclic compounds Primary alcohols Organopnictogen compounds Organochlorides Organic salts Organic oxides Monoalkylamines Hydrocarbon derivatives Alkyl chlorides Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coenzyme a or derivatives - Tetraterpenoid - Purine ribonucleoside diphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside 3',5'-bisphosphate - Pyrimidine ribonucleoside diphosphate - Ribonucleoside 3'-phosphate - Pentose-5-phosphate - Pentose phosphate - Gamma amino acid or derivatives - N-glycosyl compound - Glycosyl compound - Beta amino acid or derivatives - Organic pyrophosphate - Monosaccharide phosphate - Alpha-amino acid or derivatives - Alpha-amino acid - 6-aminopurine - N-alkyl-o-phenylhydroxylamine - Purine - Imidazopyrimidine - Phenoxy compound - O-phenylhydroxylamine - Methoxybenzene - Phosphoethanolamine - Phenol ether - Gamma-keto acid - Anisole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monoalkyl phosphate - Glyceric_acid - Pyrimidone - Phenol - Hydroxy fatty acid - Beta-hydroxy acid - Aminopyrimidine - Amino fatty acid - Alkyl aryl ether - Imidolactam - Benzenoid - Alkyl phosphate - 1,3-dicarbonyl compound - Pyrimidine - Phosphoric acid ester - Organic phosphoric acid derivative - N-substituted imidazole - N-acyl-amine - Monosaccharide - Keto acid - Hydroxy acid - Hydropyrimidine - Fatty amide - Beta-hydroxy ketone - Monocyclic benzene moiety - Alpha-keto acid - Alpha-hydroxy acid - Acyloin - Heteroaromatic compound - Tetrahydrofuran - Imidazole - Azole - Alpha-hydroxy ketone - Amino acid - Carbothioic s-ester - Thiocarboxylic acid ester - Secondary carboxylic acid amide - Secondary alcohol - Ketone - Carboxylic acid salt - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - N-organohydroxylamine - Chloroalkene - Haloalkene - Organoheterocyclic compound - Sulfenyl compound - Vinyl halide - Vinyl chloride - Thiocarboxylic acid or derivatives - Polyol - Ether - Carboxylic acid - Carboxylic acid derivative - Carboximidic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Primary amine - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Carbonyl group - Amine - Alkyl halide - Alkyl chloride - Alcohol - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-oxo-acyl coas. These are organic compounds containing a 3-oxo acylated coenzyme A derivative.
External Descriptors
Not available