Compound Identification
SMILES
COC1=C(O)C=CC(=C1)C(O)CC(=O)SCCNC(=O)CCNC(=O)C(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
InChIKey
InChIKey=SDNPOBCYTJKZSD-HRCMCYLASA-N
Formula
C31H46N7O20P3S
Mass
961.72
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
- Level 5 Acyl CoAs
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Subclass
Fatty acyl thioesters
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Class
Fatty Acyls
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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 Purine ribonucleoside diphosphates Ribonucleoside 3'-phosphates Pentose phosphates Beta amino acids and derivatives Glycosylamines 6-aminopurines Methoxyphenols Monosaccharide phosphates Organic pyrophosphates Anisoles Methoxybenzenes Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Aminopyrimidines and derivatives Monoalkyl phosphates N-substituted imidazoles N-acyl amines Imidolactams Tetrahydrofurans Heteroaromatic compounds Thioesters Carbothioic S-esters Secondary carboxylic acid amides Secondary alcohols Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Carbonyl compounds Aromatic alcohols Primary amines Organic oxides Organopnictogen compounds Hydrocarbon derivatives
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 - Beta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Methoxyphenol - Organic pyrophosphate - Monosaccharide phosphate - Pentose monosaccharide - Purine - Imidazopyrimidine - Anisole - Phenoxy compound - Methoxybenzene - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Monoalkyl phosphate - Phenol - Alkyl aryl ether - Aminopyrimidine - Fatty amide - Monocyclic benzene moiety - Monosaccharide - Pyrimidine - Benzenoid - N-acyl-amine - Imidolactam - Alkyl phosphate - Phosphoric acid ester - N-substituted imidazole - Organic phosphoric acid derivative - Tetrahydrofuran - Imidazole - Azole - Heteroaromatic compound - Carbothioic s-ester - Secondary alcohol - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Thiocarboxylic acid ester - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Thiocarboxylic acid or derivatives - Ether - Oxacycle - Azacycle - Primary amine - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Alcohol - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic alcohol - Amine - 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