Compound Identification
SMILES
CCCCCCCCC#CCCCCCCCC(=O)SCCN=C(O)CCN=C(O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12
InChIKey
InChIKey=NNLVYCRSYQYJOT-UHFFFAOYSA-N
Formula
C39H66N7O17P3S
Mass
1029.97
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
Acyl CoAs
- Level 6 2,3,4-saturated fatty acyl CoAs
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Level 5
Acyl CoAs
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Subclass
Fatty acyl thioesters
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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
2,3,4-saturated fatty acyl CoAs
Alternative Parents
Medium-chain fatty acyl CoAs Coenzyme A and derivatives Purine ribonucleoside diphosphates Ribonucleoside 3'-phosphates Pentose phosphates Glycosylamines 6-aminopurines Monosaccharide phosphates Organic pyrophosphates Aminopyrimidines and derivatives Monoalkyl phosphates Imidolactams N-substituted imidazoles Oxolanes Heteroaromatic compounds Secondary alcohols Thioesters Carbothioic S-esters Amino acids and derivatives Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Carboximidic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Primary amines Organic oxides
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 - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Organic pyrophosphate - Pentose monosaccharide - Purine - Imidazopyrimidine - Monoalkyl phosphate - Aminopyrimidine - Alkyl phosphate - Imidolactam - Organic phosphoric acid derivative - N-substituted imidazole - Monosaccharide - Pyrimidine - Phosphoric acid ester - Oxolane - Heteroaromatic compound - Azole - Imidazole - Carbothioic s-ester - Amino acid or derivatives - Thiocarboxylic acid ester - Secondary alcohol - Sulfenyl compound - Thiocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid derivative - Oxacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Primary amine - Alcohol - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Amine - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2,3,4-saturated fatty acyl coas. These are acyl-CoAs carrying a 2,3,4-saturated fatty acyl chain.
External Descriptors
Not available