Structure Information
Structure

Compound Identification

SMILES

CC(CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

InChIKey

InChIKey=DABYNUYNLLSQQV-KAUGXPJNSA-N

Formula

C45H72N7O20P3S

Mass

1156.08

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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 - Dihydroxy bile acid, alcohol, or derivatives - Hydroxy bile acid, alcohol, or derivatives - Cholane-skeleton - Bile acid, alcohol, or derivatives - 3-oxosteroid - 12-hydroxysteroid - Hydroxysteroid - Oxosteroid - 7-hydroxysteroid - 3-oxo-5-beta-steroid - Steroid - Ribonucleoside 3'-phosphate - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - Beta amino acid or derivatives - Organic pyrophosphate - Monosaccharide phosphate - 6-aminopurine - Pentose monosaccharide - Imidazopyrimidine - Purine - Aminopyrimidine - Monoalkyl phosphate - Pyrimidine - Phosphoric acid ester - Alkyl phosphate - Fatty amide - N-substituted imidazole - Monosaccharide - N-acyl-amine - Organic phosphoric acid derivative - Imidolactam - Imidazole - Azole - Tetrahydrofuran - Cyclic alcohol - Heteroaromatic compound - Thiocarboxylic acid ester - Carboxamide group - Cyclic ketone - Carbothioic s-ester - Secondary carboxylic acid amide - Secondary alcohol - Amino acid or derivatives - Ketone - Organoheterocyclic compound - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Oxacycle - Thiocarboxylic acid or derivatives - Primary amine - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Amine - Organosulfur compound - Alcohol - 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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