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])CCC4([H])CC(=O)CCC4(C)C3([H])CC([H])(O)C12C
InChIKey
InChIKey=DUXMITADCRRTKI-UHFFFAOYSA-N
Formula
C45H72N7O19P3S
Mass
1140.08
Taxonomic Classification
Taxonomy Tree
-
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 Monohydroxy bile acids, alcohols and derivatives 3-oxosteroids 12-hydroxysteroids Ribonucleoside 3'-phosphates Pentose phosphates Glycosylamines 6-aminopurines Organic pyrophosphates Monosaccharide phosphates Monoalkyl phosphates Aminopyrimidines and derivatives Imidolactams N-substituted imidazoles Tetrahydrofurans Heteroaromatic compounds Amino acids and derivatives Cyclic alcohols and derivatives Thioesters Secondary alcohols Carbothioic S-esters Cyclic ketones Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Carboximidic acids Primary amines Organic oxides Organopnictogen compounds 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 - Hydroxy bile acid, alcohol, or derivatives - Monohydroxy bile acid, alcohol, or derivatives - Cholane-skeleton - Bile acid, alcohol, or derivatives - 3-oxosteroid - 12-hydroxysteroid - Hydroxysteroid - Oxosteroid - Steroid - Ribonucleoside 3'-phosphate - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - Monosaccharide phosphate - Pentose monosaccharide - 6-aminopurine - Organic pyrophosphate - Imidazopyrimidine - Purine - Monoalkyl phosphate - Aminopyrimidine - Imidolactam - Pyrimidine - Organic phosphoric acid derivative - N-substituted imidazole - Phosphoric acid ester - Monosaccharide - Alkyl phosphate - Heteroaromatic compound - Tetrahydrofuran - Imidazole - Azole - Cyclic alcohol - Carbothioic s-ester - Ketone - Secondary alcohol - Thiocarboxylic acid ester - Cyclic ketone - Amino acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thiocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid derivative - Oxacycle - Organic oxygen compound - Amine - Organopnictogen compound - Primary amine - Alcohol - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - 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