Structure Information
Structure

Compound Identification

SMILES

[H][C@@](C)(CCC=C(C)C(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C

InChIKey

InChIKey=GPXOWXUADRQDFI-MVJCTYHBSA-N

Formula

C48H74N7O18P3S

Mass

1162.13

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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 - Heteroaromatic compound - Imidazole - Secondary alcohol - Carbothioic s-ester - Amino acid or derivatives - Cyclic ketone - Ketone - Thiocarboxylic acid ester - Sulfenyl compound - Organoheterocyclic compound - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid derivative - Azacycle - Oxacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Thiocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Primary amine - Organic oxide - Alcohol - Hydrocarbon derivative - Organosulfur compound - Amine - Organooxygen compound - Organic oxygen compound - Organopnictogen 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

CHEBI:87141 : steroidal acyl-CoA

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