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-J

Formula

C48H70N7O18P3S

Mass

1158.1

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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 - N-glycosyl compound - Glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Organic pyrophosphate - Purine - Imidazopyrimidine - Monoalkyl phosphate - Cyclohexenone - Aminopyrimidine - Pyrimidine - Imidolactam - Monosaccharide - Alkyl phosphate - N-substituted imidazole - Phosphoric acid ester - Organic phosphoric acid derivative - Tetrahydrofuran - Azole - Imidazole - Heteroaromatic compound - Ketone - Amino acid or derivatives - Secondary alcohol - Thiocarboxylic acid ester - Carbothioic s-ester - Cyclic ketone - Sulfenyl compound - Thiocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Oxacycle - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid derivative - Alcohol - Carbonyl group - Organopnictogen compound - Amine - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - 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

CHEBI:86414 : acyl-CoA(4-)

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