Structure Information
Structure

Compound Identification

SMILES

[H]C(C)(CCC(=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])C([H])(O)CC4=CC(=O)CCC4(C)C3([H])CC([H])(O)C12C

InChIKey

InChIKey=KJGXHAKCKWIECY-UHFFFAOYSA-N

Formula

C45H70N7O20P3S

Mass

1154.07

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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

2,3,4-saturated fatty 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 - Dihydroxy bile acid, alcohol, or derivatives - Hydroxy bile acid, alcohol, or derivatives - Bile acid, alcohol, or derivatives - 3-oxo-delta-4-steroid - 3-oxosteroid - 12-hydroxysteroid - Hydroxysteroid - Oxosteroid - 7-hydroxysteroid - Delta-4-steroid - Steroid - Ribonucleoside 3'-phosphate - Pentose phosphate - Pentose-5-phosphate - N-glycosyl compound - Glycosyl compound - Monosaccharide phosphate - Organic pyrophosphate - 6-aminopurine - Pentose monosaccharide - Imidazopyrimidine - Purine - Monoalkyl phosphate - Cyclohexenone - Aminopyrimidine - Alkyl phosphate - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Pyrimidine - Phosphoric acid ester - Imidolactam - Heteroaromatic compound - Tetrahydrofuran - Cyclic alcohol - Imidazole - Azole - Thiocarboxylic acid ester - Cyclic ketone - Carbothioic s-ester - Ketone - Secondary alcohol - Amino acid or derivatives - Thiocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid derivative - Azacycle - Oxacycle - Amine - Alcohol - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Primary amine - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 2,3,4-saturated fatty acyl coas. These are acyl-CoAs carrying a 2,3,4-saturated fatty acyl chain.

External Descriptors

Not available

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