Compound Identification
SMILES
[H]C(C)(CCC([H])(O)C([H])(C)C(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O)C1([H])CC[C@@]2([H])C3([H])C([H])(O)C[C@]4([H])CC([H])(O)CC[C@]4(C)C3([H])C[C@]([H])(O)[C@]12C
InChIKey
InChIKey=PXHZOQNODUPJKC-PDTKZXHPSA-N
Formula
C48H80N7O21P3S
Mass
1216.18
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
Medium-chain fatty acyl CoAs 2,3,4-saturated fatty acyl CoAs Coenzyme A and derivatives Tetrahydroxy bile acids, alcohols and derivatives Steroidal glycosides Purine ribonucleoside diphosphates 12-hydroxysteroids 3-hydroxysteroids 7-hydroxysteroids Ribonucleoside 3'-phosphates Pentose phosphates Glycosylamines 6-aminopurines Monosaccharide phosphates Organic pyrophosphates Monoalkyl phosphates Aminopyrimidines and derivatives Imidolactams N-substituted imidazoles Tetrahydrofurans Heteroaromatic compounds Thioesters Secondary alcohols Amino acids and derivatives Carbothioic S-esters Cyclic alcohols and derivatives Carboximidic acids Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Polyols Sulfenyl compounds Oxacyclic compounds Carbonyl compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coenzyme a or derivatives - Tetrahydroxy bile acid, alcohol, or derivatives - Purine ribonucleoside diphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside 3',5'-bisphosphate - Steroidal glycoside - 24-hydroxysteroid - Cholane-skeleton - Hydroxy bile acid, alcohol, or derivatives - Bile acid, alcohol, or derivatives - 12-hydroxysteroid - Hydroxysteroid - 3-hydroxysteroid - 7-hydroxysteroid - Steroid - Pentose-5-phosphate - Ribonucleoside 3'-phosphate - Pentose phosphate - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Organic pyrophosphate - Pentose monosaccharide - Purine - Imidazopyrimidine - Monoalkyl phosphate - Aminopyrimidine - Imidolactam - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Alkyl phosphate - Phosphoric acid ester - Pyrimidine - Cyclic alcohol - Tetrahydrofuran - Heteroaromatic compound - Azole - Imidazole - Thiocarboxylic acid ester - Secondary alcohol - Amino acid or derivatives - Carbothioic s-ester - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboximidic acid - Thiocarboxylic acid or derivatives - Carboximidic acid derivative - Organoheterocyclic compound - Azacycle - Oxacycle - Polyol - Sulfenyl compound - Carboxylic acid derivative - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Alcohol - Amine - Organopnictogen compound - Organonitrogen compound - Primary amine - Organooxygen compound - 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