Compound Identification
SMILES
[H]C(CCCCC)=C([H])CC([H])=C([H])CC([H])=C([H])CC([H])=C([H])CC([H])=C([H])CCC(=O)CC(=O)SCCN=C(O)CCN=C(O)C([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1([H])OC([H])(N2C=NC3=C(N)N=CN=C23)C([H])(O)C1([H])OP(O)(O)=O
InChIKey
InChIKey=UIAGUJIMVQPSDP-UHFFFAOYSA-N
Formula
C45H70N7O18P3S
Mass
1122.07
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 Very-long-chain 3-oxoacyl CoAs
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Level 6
3-oxo-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 - 3-oxo-acyl CoAs
Direct Parent
Very-long-chain 3-oxoacyl CoAs
Alternative Parents
Very long-chain fatty acyl CoAs 2,3,4-saturated fatty acyl CoAs Coenzyme A and derivatives Purine ribonucleoside diphosphates Pentose phosphates Ribonucleoside 3'-phosphates Glycosylamines 6-aminopurines Organic pyrophosphates Monosaccharide phosphates Aminopyrimidines and derivatives Monoalkyl phosphates 1,3-dicarbonyl compounds Imidolactams N-substituted imidazoles Oxolanes Heteroaromatic compounds Ketones Carbothioic S-esters Amino acids and derivatives Secondary alcohols Thioesters Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Carboximidic acids Azacyclic compounds Primary amines Hydrocarbon derivatives 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 - Imidazopyrimidine - Purine - Aminopyrimidine - Monoalkyl phosphate - 1,3-dicarbonyl compound - Pyrimidine - Alkyl phosphate - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Imidolactam - Azole - Imidazole - Heteroaromatic compound - Oxolane - Thiocarboxylic acid ester - Amino acid or derivatives - Secondary alcohol - Ketone - Carbothioic s-ester - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Sulfenyl compound - Thiocarboxylic acid or derivatives - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid derivative - Primary amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Amine - Carbonyl group - Alcohol - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as very-long-chain 3-oxoacyl coas. These are organic compounds containing a coenzyme A derivative, which is 3-oxo acylated long aliphatic chain of 22 carbon atoms or more.
External Descriptors
Not available