Structure Information
Structure

Compound Identification

SMILES

CC(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](O)C(=O)NCCC(=O)NCCSSCC(NC(=O)CCC([NH3+])C([O-])=O)C(=O)NCC([O-])=O

InChIKey

InChIKey=JYKWMJBUIXNJOG-TUWKYHPZSA-I

Formula

C31H46N10O22P3S2

Mass

1067.8

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Alkyl-CoA disulfides

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Alkyl-CoA disulfides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alkyl-coa disulfide - Coenzyme a or derivatives - Alpha-oligopeptide - Gamma-glutamyl alpha peptide - Purine ribonucleoside diphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside 3',5'-bisphosphate - Alpha peptide - Ribonucleoside 3'-phosphate - Pentose-5-phosphate - Pentose phosphate - Glutamine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Alpha-amino acid amide - Cysteine or derivatives - Beta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - Organic pyrophosphate - 6-aminopurine - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid - Monosaccharide phosphate - Purine - Imidazopyrimidine - Aminopyrimidine - Dicarboxylic acid or derivatives - Fatty amide - Fatty acyl - Imidolactam - Monosaccharide - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Alkyl phosphate - Phosphoric acid ester - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Quaternary ammonium salt - Oxolane - Carboxylic acid salt - Dialkyldisulfide - Carboxamide group - Amino acid or derivatives - Organic disulfide - Secondary alcohol - Secondary carboxylic acid amide - Amino acid - Organoheterocyclic compound - Azacycle - Oxacycle - Sulfenyl compound - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Amine - Organic nitrogen compound - Alcohol - Organic oxygen compound - Carbonyl group - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Organic oxide - Organic salt - Primary amine - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as alkyl-coa disulfides. These are compounds containing an S-alkyl group linked to the S-end of the coenzyme A moiety.

External Descriptors

Not available

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