Structure Information
Structure

Compound Identification

SMILES

CC(C)(COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12)C(O)C(O)=NCCC(O)=NCCSC(=O)CC=CCCC=CC=CC=CC(SCC(N)C(O)=O)C(O)CCCC(O)=O

InChIKey

InChIKey=ANLFIWCXIHNIAL-UHFFFAOYSA-N

Formula

C42H65N8O22P3S2

Mass

1191.06

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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

Enoyl CoAs - Long-chain enoyl CoAs

Direct Parent

Long-chain 3-enoyl CoAs

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Coenzyme a or derivatives - Purine ribonucleoside 3',5'-bisphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside diphosphate - Ribonucleoside 3'-phosphate - Pentose phosphate - Pentose-5-phosphate - Octadecanoid - Long-chain fatty acid - Cysteine or derivatives - Glycosyl compound - N-glycosyl compound - Alpha-amino acid - Alpha-amino acid or derivatives - 6-aminopurine - Monosaccharide phosphate - Organic pyrophosphate - Pentose monosaccharide - Imidazopyrimidine - Purine - Aminopyrimidine - Hydroxy fatty acid - Monoalkyl phosphate - Thia fatty acid - Fatty acid - Imidolactam - Dicarboxylic acid or derivatives - Alkyl phosphate - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Unsaturated fatty acid - Phosphoric acid ester - Pyrimidine - Imidazole - Oxolane - Azole - Heteroaromatic compound - Amino acid - Secondary alcohol - Thiocarboxylic acid ester - Carbothioic s-ester - Amino acid or derivatives - Dialkylthioether - Sulfenyl compound - Oxacycle - Thioether - Carboximidic acid - Azacycle - Thiocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Carboximidic acid derivative - Organic 1,3-dipolar compound - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Organic oxygen compound - Organic oxide - Primary aliphatic amine - Primary amine - Amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as long-chain 3-enoyl coas. These are organic compounds containing a coenzyme A substructure linked to a long-chain 3-enoyl chain of 13 to 21 carbon atoms.

External Descriptors

Not available

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