Compound Identification
SMILES
CC(C)(COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12)C(O)C(O)=NCCC(O)=NCCSC(=O)CC(=O)CCCC=CC=CC=CC(SCC(N)C(O)=O)C(O)CCCC(O)=O
InChIKey
InChIKey=IPTNGKBINTWILB-UHFFFAOYSA-N
Formula
C42H65N8O23P3S2
Mass
1207.06
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
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Level 6
3-oxo-acyl CoAs
- Level 7 Long-chain 3-oxoacyl CoAs
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Level 6
3-oxo-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 - 3-oxo-acyl CoAs
Direct Parent
Long-chain 3-oxoacyl CoAs
Alternative Parents
Long-chain fatty acyl CoAs 2,3,4-saturated fatty acyl CoAs Coenzyme A and derivatives Purine ribonucleoside diphosphates Pentose phosphates Ribonucleoside 3'-phosphates Lineolic acids and derivatives Long-chain fatty acids Cysteine and derivatives Glycosylamines Alpha amino acids Organic pyrophosphates 6-aminopurines Monosaccharide phosphates Aminopyrimidines and derivatives Hydroxy fatty acids Monoalkyl phosphates Thia fatty acids Dicarboxylic acids and derivatives N-substituted imidazoles Imidolactams 1,3-dicarbonyl compounds Unsaturated fatty acids Heteroaromatic compounds Oxolanes Secondary alcohols Thioesters Amino acids Ketones Carbothioic S-esters Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Dialkylthioethers Carboxylic acids Carboximidic acids Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Monoalkylamines 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 - Octadecanoid - Long-chain fatty acid - Cysteine or derivatives - Glycosyl compound - N-glycosyl compound - Alpha-amino acid - Alpha-amino acid or derivatives - 6-aminopurine - Monosaccharide phosphate - Organic pyrophosphate - Pentose monosaccharide - Imidazopyrimidine - Purine - Aminopyrimidine - Hydroxy fatty acid - Monoalkyl phosphate - Thia fatty acid - Fatty acid - Imidolactam - Dicarboxylic acid or derivatives - Alkyl phosphate - 1,3-dicarbonyl compound - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Unsaturated fatty acid - Phosphoric acid ester - Pyrimidine - Oxolane - Heteroaromatic compound - Azole - Imidazole - Thiocarboxylic acid ester - Amino acid - Secondary alcohol - Carbothioic s-ester - Ketone - Amino acid or derivatives - Thiocarboxylic acid or derivatives - Carboximidic acid - Thioether - Azacycle - Oxacycle - Carboximidic acid derivative - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Dialkylthioether - Organooxygen compound - Organic nitrogen compound - Primary amine - Carbonyl group - Alcohol - Organonitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organic oxygen compound - Organic oxide - Primary aliphatic amine - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as long-chain 3-oxoacyl coas. These are organic compounds containing a coenzyme A derivative, which is 3-oxo acylated long aliphatic chain of 13 to 21 carbon atoms.
External Descriptors
Not available