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

InChIKey

InChIKey=DUXMITADCRRTKI-UHFFFAOYSA-N

Formula

C45H72N7O19P3S

Mass

1140.08

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