Compound Identification
SMILES
CC(CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
InChIKey
InChIKey=DABYNUYNLLSQQV-KAUGXPJNSA-J
Formula
C45H68N7O20P3S
Mass
1152.05
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 Steroidal glycosides Purine ribonucleoside diphosphates Dihydroxy bile acids, alcohols and derivatives 7-hydroxysteroids 3-oxo-5-beta-steroids 12-hydroxysteroids Ribonucleoside 3'-phosphates Pentose phosphates Glycosylamines Beta amino acids and derivatives Organic pyrophosphates Monosaccharide phosphates 6-aminopurines Aminopyrimidines and derivatives N-substituted imidazoles N-acyl amines Imidolactams Alkyl phosphates Tetrahydrofurans Heteroaromatic compounds Thioesters Secondary carboxylic acid amides Secondary alcohols Cyclic ketones Cyclic alcohols and derivatives Carbothioic S-esters Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coenzyme a or derivatives - Steroidal glycoside - Purine ribonucleoside diphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside 3',5'-bisphosphate - Dihydroxy bile acid, alcohol, or derivatives - Cholane-skeleton - Hydroxy bile acid, alcohol, or derivatives - Bile acid, alcohol, or derivatives - 3-oxo-5-beta-steroid - 7-hydroxysteroid - Oxosteroid - Hydroxysteroid - 12-hydroxysteroid - 3-oxosteroid - Steroid - Ribonucleoside 3'-phosphate - Pentose-5-phosphate - Pentose phosphate - N-glycosyl compound - Glycosyl compound - Beta amino acid or derivatives - Organic pyrophosphate - Monosaccharide phosphate - 6-aminopurine - Purine - Imidazopyrimidine - Aminopyrimidine - Imidolactam - Alkyl phosphate - Pyrimidine - Phosphoric acid ester - Organic phosphoric acid derivative - N-substituted imidazole - N-acyl-amine - Monosaccharide - Fatty amide - Heteroaromatic compound - Tetrahydrofuran - Imidazole - Cyclic alcohol - Azole - Carbothioic s-ester - Cyclic ketone - Thiocarboxylic acid ester - Secondary carboxylic acid amide - Secondary alcohol - Ketone - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - 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