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-N
Formula
C45H72N7O20P3S
Mass
1156.08
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
Coenzyme A and derivatives Steroidal glycosides Purine ribonucleoside diphosphates Dihydroxy bile acids, alcohols and derivatives 12-hydroxysteroids 3-oxo-5-beta-steroids 7-hydroxysteroids Ribonucleoside 3'-phosphates Pentose phosphates Beta amino acids and derivatives Glycosylamines 6-aminopurines Monosaccharide phosphates Organic pyrophosphates Monoalkyl phosphates Aminopyrimidines and derivatives N-substituted imidazoles N-acyl amines Imidolactams Tetrahydrofurans Heteroaromatic compounds Thioesters Secondary carboxylic acid amides Carbothioic S-esters Secondary alcohols Cyclic alcohols and derivatives Cyclic ketones Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coenzyme a or derivatives - Purine ribonucleoside 3',5'-bisphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside diphosphate - Steroidal glycoside - Dihydroxy bile acid, alcohol, or derivatives - Hydroxy bile acid, alcohol, or derivatives - Cholane-skeleton - Bile acid, alcohol, or derivatives - 3-oxosteroid - 12-hydroxysteroid - Hydroxysteroid - Oxosteroid - 7-hydroxysteroid - 3-oxo-5-beta-steroid - Steroid - Ribonucleoside 3'-phosphate - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - Beta amino acid or derivatives - Organic pyrophosphate - Monosaccharide phosphate - 6-aminopurine - Pentose monosaccharide - Imidazopyrimidine - Purine - Aminopyrimidine - Monoalkyl phosphate - Pyrimidine - Phosphoric acid ester - Alkyl phosphate - Fatty amide - N-substituted imidazole - Monosaccharide - N-acyl-amine - Organic phosphoric acid derivative - Imidolactam - Imidazole - Azole - Tetrahydrofuran - Cyclic alcohol - Heteroaromatic compound - Thiocarboxylic acid ester - Carboxamide group - Cyclic ketone - Carbothioic s-ester - Secondary carboxylic acid amide - Secondary alcohol - Amino acid or derivatives - Ketone - Organoheterocyclic compound - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Oxacycle - Thiocarboxylic acid or derivatives - Primary amine - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Amine - Organosulfur compound - Alcohol - 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