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)NCCSC(=O)CCCCCCC\C=C/CCCCCCCCNC(=O)C1=C(O)C=C(C=C1)N=[N+]=[N-]
InChIKey
InChIKey=QRWGODRKZMWFMH-XAVBFECSSA-N
Formula
C46H72N11O19P3S
Mass
1208.12
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
Subclass
Fatty acyl thioesters
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Level 5
Acyl CoAs
- Level 6 Long-chain fatty acyl CoAs
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Level 5
Acyl CoAs
-
Subclass
Fatty acyl thioesters
-
Class
Fatty Acyls
-
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
Acyl CoAs
Direct Parent
Long-chain fatty acyl CoAs
Alternative Parents
2,3,4-saturated fatty acyl CoAs Coenzyme A and derivatives Purine ribonucleoside diphosphates Pentose phosphates Ribonucleoside 3'-phosphates Beta amino acids and derivatives Glycosylamines 6-aminopurines Monosaccharide phosphates Organic pyrophosphates Salicylamides Benzamides Phenylazides Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Aminopyrimidines and derivatives 1-hydroxy-4-unsubstituted benzenoids Monoalkyl phosphates N-substituted imidazoles N-acyl amines Imidolactams Oxolanes Vinylogous acids Heteroaromatic compounds Secondary alcohols Azo compounds Azo imides Thioesters Carbothioic S-esters Secondary carboxylic acid amides Oxacyclic compounds Sulfenyl compounds Azacyclic compounds Organic oxides Organic zwitterions Primary amines Hydrocarbon derivatives Carbonyl compounds Organic salts
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 - Beta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Organic pyrophosphate - Pentose monosaccharide - Salicylamide - Salicylic acid or derivatives - Imidazopyrimidine - Benzamide - Benzoic acid or derivatives - Purine - Phenylazide - Benzoyl - Phenol - Monoalkyl phosphate - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Aminopyrimidine - Pyrimidine - Fatty amide - Monocyclic benzene moiety - Benzenoid - Monosaccharide - Phosphoric acid ester - Alkyl phosphate - Imidolactam - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Vinylogous acid - Azole - Imidazole - Heteroaromatic compound - Oxolane - Azo compound - Amino acid or derivatives - Azo imide - Carbothioic s-ester - Thiocarboxylic acid ester - Secondary carboxylic acid amide - Carboxamide group - Secondary alcohol - Sulfenyl compound - Organoheterocyclic compound - Thiocarboxylic acid or derivatives - Oxacycle - Azacycle - Carboxylic acid derivative - Organic salt - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic zwitterion - Alcohol - Primary amine - Hydrocarbon derivative - Organic oxide - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as long-chain fatty acyl coas. These are acyl CoAs where the group acylated to the coenzyme A moiety is a long aliphatic chain of 13 to 21 carbon atoms.
External Descriptors
Not available