Structure Information
Structure

Compound Identification

SMILES

[H]C(C)(C(=O)SCCN=C(O)CCN=C(O)C([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1([H])OC([H])(N2C=NC3=C(N)N=CN=C23)C([H])(O)C1([H])OP(O)(O)=O)C1([H])CCC2([H])C3([H])CCC4=CC(=O)CCC4(C)C3(O)CCC12C

InChIKey

InChIKey=BTANWBCJTFWTDB-UHFFFAOYSA-N

Formula

C43H66N7O19P3S

Mass

1110.01

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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

Not available

Direct Parent

Acyl CoAs

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Coenzyme a or derivatives - Purine ribonucleoside 3',5'-bisphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside diphosphate - Steroidal glycoside - Bile acid, alcohol, or derivatives - 3-oxo-delta-4-steroid - 3-oxosteroid - Oxosteroid - Delta-4-steroid - Steroid - Ribonucleoside 3'-phosphate - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Organic pyrophosphate - Pentose monosaccharide - Imidazopyrimidine - Purine - Monoalkyl phosphate - Aminopyrimidine - Cyclohexenone - Alkyl phosphate - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Imidolactam - Pyrimidine - Tetrahydrofuran - Azole - Cyclic alcohol - Tertiary alcohol - Heteroaromatic compound - Imidazole - Secondary alcohol - Carbothioic s-ester - Amino acid or derivatives - Cyclic ketone - Ketone - Thiocarboxylic acid ester - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thiocarboxylic acid or derivatives - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Oxacycle - Organic 1,3-dipolar compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Primary amine - Hydrocarbon derivative - Alcohol - Organosulfur compound - Organopnictogen compound - Amine - Organic oxygen 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

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