Compound Identification
SMILES
CC(C)(COP([O-])(=O)OP([O-])(=O)OCC1OC(C)(C(O)C1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)\C=C/CCCC(O)=O
InChIKey
InChIKey=AWKKPAFZJORXNU-VURMDHGXSA-J
Formula
C29H42N7O19P3S
Mass
917.67
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Fatty Acyls
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Subclass
Fatty acyl thioesters
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Level 5
Enoyl CoAs
- Level 6 Medium-chain 2-enoyl CoAs
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Level 5
Enoyl CoAs
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Subclass
Fatty acyl thioesters
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Class
Fatty Acyls
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Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Fatty acyl thioesters
Intermediate Tree Nodes
Enoyl CoAs
Direct Parent
Medium-chain 2-enoyl CoAs
Alternative Parents
2-enoyl CoAs Acyl CoAs Coenzyme A and derivatives Purine ribonucleoside diphosphates Ribonucleoside 3'-phosphates Pentose phosphates C-glycosyl compounds Beta amino acids and derivatives 6-aminopurines Organic pyrophosphates Monosaccharide phosphates Medium-chain fatty acids Hydroxy fatty acids Aminopyrimidines and derivatives Unsaturated fatty acids Imidolactams Alkyl phosphates N-acyl amines N-substituted imidazoles Oxolanes Heteroaromatic compounds Carbothioic S-esters Secondary alcohols Thioesters Amino acids Secondary carboxylic acid amides Sulfenyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coenzyme a or derivatives - Purine ribonucleoside 3',5'-bisphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside diphosphate - Pentose phosphate - Ribonucleoside 3'-phosphate - Pentose-5-phosphate - Beta amino acid or derivatives - C-glycosyl compound - Glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Organic pyrophosphate - Imidazopyrimidine - Purine - Medium-chain fatty acid - Hydroxy fatty acid - Aminopyrimidine - Fatty acid - Fatty amide - Pyrimidine - Organic phosphoric acid derivative - Imidolactam - Monosaccharide - Phosphoric acid ester - N-acyl-amine - N-substituted imidazole - Unsaturated fatty acid - Alkyl phosphate - Oxolane - Azole - Heteroaromatic compound - Imidazole - Thiocarboxylic acid ester - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Secondary alcohol - Amino acid - Carbothioic s-ester - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Oxacycle - Sulfenyl compound - Azacycle - Carboxylic acid derivative - Thiocarboxylic acid or derivatives - Carboxylic acid - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Carbonyl group - Alcohol - Primary amine - Organic oxide - Organic oxygen compound - Organosulfur compound - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as medium-chain 2-enoyl coas. These are organic compounds containing a coenzyme A substructure linked to a medium-chain 2-enoyl chain of 5 to 12 carbon atoms.
External Descriptors
Not available