Compound Identification
SMILES
[H]\C(CCC([H])(C)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)=C(\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
InChIKey
InChIKey=QVDPWQVOSKJUES-UCIOAFNYSA-N
Formula
C48H78N7O20P3S
Mass
1198.16
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
Subclass
Fatty acyl thioesters
- Level 5 Acyl CoAs
-
Subclass
Fatty acyl thioesters
-
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
Not available
Direct Parent
Acyl CoAs
Alternative Parents
Coenzyme A and derivatives Steroidal glycosides Purine ribonucleoside diphosphates Trihydroxy bile acids, alcohols and derivatives 12-hydroxysteroids 3-hydroxysteroids 7-hydroxysteroids Pentose phosphates Ribonucleoside 3'-phosphates Glycosylamines Monosaccharide phosphates Organic pyrophosphates 6-aminopurines Monoalkyl phosphates Aminopyrimidines and derivatives Imidolactams N-substituted imidazoles Heteroaromatic compounds Tetrahydrofurans Thioesters Secondary alcohols Amino acids and derivatives Carbothioic S-esters Cyclic alcohols and derivatives Polyols Carboximidic acids Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Sulfenyl compounds Oxacyclic compounds Carbonyl compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coenzyme a or derivatives - Purine ribonucleoside 3',5'-bisphosphate - Purine ribonucleoside bisphosphate - Steroidal glycoside - Purine ribonucleoside diphosphate - Trihydroxy bile acid, alcohol, or derivatives - Hydroxy bile acid, alcohol, or derivatives - Cholane-skeleton - Bile acid, alcohol, or derivatives - 3-hydroxysteroid - 12-hydroxysteroid - 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 - Aminopyrimidine - Monoalkyl phosphate - Imidolactam - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Alkyl phosphate - Phosphoric acid ester - Pyrimidine - Cyclic alcohol - Tetrahydrofuran - Heteroaromatic compound - Imidazole - Azole - Thiocarboxylic acid ester - Amino acid or derivatives - Secondary alcohol - Carbothioic s-ester - Carboximidic acid - Organic 1,3-dipolar compound - Polyol - Propargyl-type 1,3-dipolar organic compound - Carboximidic acid derivative - Organoheterocyclic compound - Azacycle - Oxacycle - Thiocarboxylic acid or derivatives - Sulfenyl compound - Carboxylic acid derivative - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Alcohol - Organopnictogen compound - Amine - Primary amine - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as acyl coas. These are organic compounds containing a coenzyme A substructure linked to an acyl chain.
External Descriptors
Not available