Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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