Compound Identification
SMILES
[H]C(C)(CCC(=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)C1([H])CCC2([H])C3([H])C([H])(O)CC4=CC(=O)CCC4(C)C3([H])CC([H])(O)C12C
InChIKey
InChIKey=KJGXHAKCKWIECY-UHFFFAOYSA-N
Formula
C45H70N7O20P3S
Mass
1154.07
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
- 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
Coenzyme A and derivatives Purine ribonucleoside diphosphates Steroidal glycosides Dihydroxy bile acids, alcohols and derivatives 12-hydroxysteroids 3-oxo delta-4-steroids 7-hydroxysteroids Delta-4-steroids Pentose phosphates Ribonucleoside 3'-phosphates Glycosylamines Monosaccharide phosphates Organic pyrophosphates 6-aminopurines Aminopyrimidines and derivatives Cyclohexenones Monoalkyl phosphates N-substituted imidazoles Imidolactams Heteroaromatic compounds Tetrahydrofurans Thioesters Cyclic alcohols and derivatives Carbothioic S-esters Amino acids and derivatives Secondary alcohols Oxacyclic compounds Carboximidic acids Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Organic oxides Organopnictogen compounds Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coenzyme a or derivatives - Purine ribonucleoside 3',5'-bisphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside diphosphate - Steroidal glycoside - Dihydroxy bile acid, alcohol, or derivatives - Hydroxy bile acid, alcohol, or derivatives - Bile acid, alcohol, or derivatives - 3-oxo-delta-4-steroid - 3-oxosteroid - 12-hydroxysteroid - Hydroxysteroid - Oxosteroid - 7-hydroxysteroid - Delta-4-steroid - Steroid - Ribonucleoside 3'-phosphate - Pentose phosphate - Pentose-5-phosphate - N-glycosyl compound - Glycosyl compound - Monosaccharide phosphate - Organic pyrophosphate - 6-aminopurine - Pentose monosaccharide - Imidazopyrimidine - Purine - Monoalkyl phosphate - Cyclohexenone - Aminopyrimidine - Alkyl phosphate - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Pyrimidine - Phosphoric acid ester - Imidolactam - Heteroaromatic compound - Tetrahydrofuran - Cyclic alcohol - Imidazole - Azole - Thiocarboxylic acid ester - Cyclic ketone - Carbothioic s-ester - Ketone - Secondary alcohol - Amino acid or derivatives - Thiocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid derivative - Azacycle - Oxacycle - Amine - Alcohol - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Primary amine - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen 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