Structure Information
Structure

Compound Identification

SMILES

[H]C(C)(CCC([H])(O)C([H])(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)C1([H])CC[C@@]2([H])C3([H])C([H])(O)C[C@]4([H])CC([H])(O)CC[C@]4(C)C3([H])C[C@]([H])(O)[C@]12C

InChIKey

InChIKey=PXHZOQNODUPJKC-PDTKZXHPSA-N

Formula

C48H80N7O21P3S

Mass

1216.18

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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

3-hydroxyacyl CoAs

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Coenzyme a or derivatives - Tetrahydroxy bile acid, alcohol, or derivatives - Purine ribonucleoside diphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside 3',5'-bisphosphate - Steroidal glycoside - 24-hydroxysteroid - Cholane-skeleton - Hydroxy bile acid, alcohol, or derivatives - Bile acid, alcohol, or derivatives - 12-hydroxysteroid - Hydroxysteroid - 3-hydroxysteroid - 7-hydroxysteroid - Steroid - Pentose-5-phosphate - Ribonucleoside 3'-phosphate - Pentose phosphate - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Organic pyrophosphate - Pentose monosaccharide - Purine - Imidazopyrimidine - Monoalkyl phosphate - Aminopyrimidine - Imidolactam - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Alkyl phosphate - Phosphoric acid ester - Pyrimidine - Cyclic alcohol - Tetrahydrofuran - Heteroaromatic compound - Azole - Imidazole - Thiocarboxylic acid ester - Secondary alcohol - Amino acid or derivatives - Carbothioic s-ester - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboximidic acid - Thiocarboxylic acid or derivatives - Carboximidic acid derivative - Organoheterocyclic compound - Azacycle - Oxacycle - Polyol - Sulfenyl compound - Carboxylic acid derivative - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Alcohol - Amine - Organopnictogen compound - Organonitrogen compound - Primary amine - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 3-hydroxyacyl coas. These are organic compounds containing a 3-hydroxyl acylated coenzyme A derivative.

External Descriptors

Not available

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