Compound Identification
SMILES
C[C@@H]1O[C@@H](OCCCCCCCC(=O)SCCN=C([O-])CCN=C([O-])[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)N2C=NC3=C(N)N=CN=C23)[C@H](O)C[C@H]1O
InChIKey
InChIKey=LNESMCNAVCENOY-VWQWRKPCSA-J
Formula
C35H56N7O21P3S
Mass
1035.84
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
Medium-chain fatty acyl CoAs Coenzyme A and derivatives Purine ribonucleoside diphosphates Ribonucleoside 3'-phosphates Pentose phosphates Glycosylamines Organic pyrophosphates Monosaccharide phosphates 6-aminopurines Monoalkyl phosphates Aminopyrimidines and derivatives Oxanes N-substituted imidazoles Imidolactams Tetrahydrofurans Heteroaromatic compounds Thioesters Secondary alcohols Carbothioic S-esters Amino acids and derivatives Sulfenyl compounds Oxacyclic compounds Carboximidic acids Azacyclic compounds Acetals Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coenzyme a or derivatives - Purine ribonucleoside diphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside 3',5'-bisphosphate - Ribonucleoside 3'-phosphate - Pentose-5-phosphate - Pentose phosphate - N-glycosyl compound - Glycosyl compound - Organic pyrophosphate - Monosaccharide phosphate - 6-aminopurine - Purine - Imidazopyrimidine - Monoalkyl phosphate - Aminopyrimidine - Imidolactam - Alkyl phosphate - Pyrimidine - Phosphoric acid ester - Oxane - Organic phosphoric acid derivative - N-substituted imidazole - Monosaccharide - Heteroaromatic compound - Tetrahydrofuran - Imidazole - Azole - Carbothioic s-ester - Thiocarboxylic acid ester - Secondary alcohol - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Carboximidic acid derivative - Carboximidic acid - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - Organic anion - 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