Structure Information
Structure

Compound Identification

SMILES

[H][C@@](C)(C=CC(=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)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C

InChIKey

InChIKey=RHXDIMAKWNDUBA-IOUXELQFSA-J

Formula

C45H66N7O18P3S

Mass

1118.04

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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

Direct Parent

2-enoyl CoAs

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Coenzyme a or derivatives - Steroidal glycoside - Purine ribonucleoside diphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside 3',5'-bisphosphate - Cholane-skeleton - 3-hydroxy-delta-5-steroid - 3-hydroxysteroid - 3-beta-hydroxy-delta-5-steroid - 3-beta-hydroxysteroid - Hydroxysteroid - Steroid - Delta-5-steroid - Pentose phosphate - Pentose-5-phosphate - Ribonucleoside 3'-phosphate - N-glycosyl compound - Glycosyl compound - Organic pyrophosphate - 6-aminopurine - Monosaccharide phosphate - 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 - Secondary alcohol - Thiocarboxylic acid ester - Amino acid or derivatives - Carbothioic s-ester - Carboximidic acid derivative - Carboxylic acid derivative - Carboximidic acid - Organoheterocyclic compound - Azacycle - Oxacycle - Thiocarboxylic acid or derivatives - Sulfenyl compound - Organic oxide - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Alcohol - Primary amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic anion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 2-enoyl coas. These are organic compounds containing a coenzyme A substructure linked to a 2-enoyl chain.

External Descriptors

CHEBI:86037 : acyl-CoA(4-)

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