Compound Identification
SMILES
CC(C)(COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)C(O)C(=O)NCCC(=O)NCCSC(=O)C[C@H](O)CCC\C=C/C=C/C=C/[C@H](SC[C@H](N)C(O)=O)[C@H](O)CCCC(O)=O
InChIKey
InChIKey=APLMMNVXTIRDHJ-IPODHEAQSA-N
Formula
C42H67N8O23P3S2
Mass
1209.07
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
Subclass
Fatty acyl thioesters
-
Level 5
Acyl CoAs
-
Level 6
3-hydroxyacyl CoAs
- Level 7 (R)-3-hydroxyacyl CoAs
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Level 6
3-hydroxyacyl CoAs
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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
Acyl CoAs - 3-hydroxyacyl CoAs - (R)-3-hydroxyacyl CoAs
Direct Parent
Long-chain (3R)-3-hydroxyacyl CoAs
Alternative Parents
Long-chain fatty acyl CoAs 2,3,4-saturated fatty acyl CoAs Coenzyme A and derivatives Purine ribonucleoside diphosphates Ribonucleoside 3'-phosphates Pentose phosphates Lineolic acids and derivatives Long-chain fatty acids L-cysteine-S-conjugates Glycosylamines Beta amino acids and derivatives L-alpha-amino acids 6-aminopurines Monosaccharide phosphates Organic pyrophosphates Monoalkyl phosphates Thia fatty acids Hydroxy fatty acids Aminopyrimidines and derivatives N-acyl amines Dicarboxylic acids and derivatives Unsaturated fatty acids Imidolactams N-substituted imidazoles Oxolanes Heteroaromatic compounds Thioesters Secondary alcohols Secondary carboxylic acid amides Carbothioic S-esters Amino acids Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Carboxylic acids Dialkylthioethers Monoalkylamines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coenzyme a or derivatives - Purine ribonucleoside 3',5'-bisphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside diphosphate - Ribonucleoside 3'-phosphate - Pentose phosphate - Pentose-5-phosphate - Octadecanoid - Long-chain fatty acid - L-cysteine-s-conjugate - Cysteine or derivatives - Beta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - Alpha-amino acid or derivatives - 6-aminopurine - Alpha-amino acid - Monosaccharide phosphate - Organic pyrophosphate - Pentose monosaccharide - L-alpha-amino acid - Imidazopyrimidine - Purine - Aminopyrimidine - Monoalkyl phosphate - Hydroxy fatty acid - Thia fatty acid - Fatty acid - Imidolactam - Dicarboxylic acid or derivatives - Fatty amide - Alkyl phosphate - Unsaturated fatty acid - Monosaccharide - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Heteroaromatic compound - Oxolane - Imidazole - Azole - Secondary alcohol - Carboxamide group - Secondary carboxylic acid amide - Thiocarboxylic acid ester - Amino acid - Amino acid or derivatives - Carbothioic s-ester - Thioether - Sulfenyl compound - Azacycle - Thiocarboxylic acid or derivatives - Dialkylthioether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Carboxylic acid - Primary amine - Organic nitrogen compound - Alcohol - Organooxygen compound - Organic oxide - Amine - Organosulfur compound - Carbonyl group - Organopnictogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as long-chain (3r)-3-hydroxyacyl coas. These are organic compounds containing a (R)-3-hydroxyl acylated coenzyme A derivative, to which the acyl chain carries between 13 and 21 carbon atoms.
External Descriptors
Not available