Compound Identification
SMILES
[H]C(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)C([H])(C)C1([H])CCC2([H])C3([H])CCC4=CC(=O)CCC4(C)C3([H])CCC12C
InChIKey
InChIKey=PWKWOPLMMQRHSP-UHFFFAOYSA-N
Formula
C45H70N7O19P3S
Mass
1138.07
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 3-hydroxyacyl 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
3-hydroxyacyl CoAs
Alternative Parents
2,3,4-saturated fatty acyl CoAs Coenzyme A and derivatives Steroidal glycosides Purine ribonucleoside diphosphates Monohydroxy bile acids, alcohols and derivatives 3-oxo delta-4-steroids Hydroxysteroids Delta-4-steroids Ribonucleoside 3'-phosphates Pentose phosphates Glycosylamines 6-aminopurines Organic pyrophosphates Monosaccharide phosphates Aminopyrimidines and derivatives Cyclohexenones Monoalkyl phosphates Imidolactams N-substituted imidazoles Heteroaromatic compounds Oxolanes Thioesters Secondary alcohols Carbothioic S-esters Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Carboximidic acids Azacyclic compounds Sulfenyl compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coenzyme a or derivatives - Steroidal glycoside - Purine ribonucleoside diphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside 3',5'-bisphosphate - Hydroxy bile acid, alcohol, or derivatives - Monohydroxy bile acid, alcohol, or derivatives - 22-hydroxysteroid - Bile acid, alcohol, or derivatives - Hydroxysteroid - Oxosteroid - 3-oxo-delta-4-steroid - 3-oxosteroid - Delta-4-steroid - Steroid - Pentose phosphate - Pentose-5-phosphate - Ribonucleoside 3'-phosphate - Glycosyl compound - N-glycosyl compound - Organic pyrophosphate - Monosaccharide phosphate - 6-aminopurine - Pentose monosaccharide - Imidazopyrimidine - Purine - Cyclohexenone - Aminopyrimidine - Monoalkyl phosphate - Organic phosphoric acid derivative - Alkyl phosphate - Imidolactam - N-substituted imidazole - Phosphoric acid ester - Monosaccharide - Pyrimidine - Imidazole - Azole - Oxolane - Heteroaromatic compound - Carbothioic s-ester - Amino acid or derivatives - Cyclic ketone - Secondary alcohol - Ketone - Thiocarboxylic acid ester - Sulfenyl compound - Thiocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Amine - Carbonyl group - Primary amine - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organosulfur compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-hydroxyacyl coas. These are organic compounds containing a 3-hydroxyl acylated coenzyme A derivative.
External Descriptors
Not available