Compound Identification
SMILES
[H][C@@](C)(C=CC(=O)SCCN=C([O-])CCN=C([O-])[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP([O-])([O-])=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C
InChIKey
InChIKey=KECDKXTVBMMQTC-ABDXREKHSA-J
Formula
C45H64N7O18P3S
Mass
1116.02
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
Enoyl CoAs
- Level 6 2-enoyl CoAs
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Level 5
Enoyl 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
Enoyl CoAs
Direct Parent
2-enoyl CoAs
Alternative Parents
Acyl CoAs Coenzyme A and derivatives Steroidal glycosides Purine ribonucleoside diphosphates Gluco/mineralocorticoids, progestogins and derivatives 3-oxo delta-4-steroids Delta-4-steroids Ribonucleoside 3'-phosphates Pentose phosphates Glycosylamines 6-aminopurines Organic pyrophosphates Monosaccharide phosphates Aminopyrimidines and derivatives Cyclohexenones Monoalkyl phosphates Imidolactams N-substituted imidazoles Heteroaromatic compounds Tetrahydrofurans Thioesters Secondary alcohols Carbothioic S-esters Amino acids and derivatives Sulfenyl compounds Carboximidic acids Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary amines 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 - Progestogin-skeleton - Pregnane-skeleton - 3-oxo-delta-4-steroid - 3-oxosteroid - Oxosteroid - Steroid - Delta-4-steroid - Ribonucleoside 3'-phosphate - Pentose-5-phosphate - Pentose phosphate - N-glycosyl compound - Glycosyl compound - 6-aminopurine - Organic pyrophosphate - Monosaccharide phosphate - Purine - Imidazopyrimidine - Monoalkyl phosphate - Cyclohexenone - Aminopyrimidine - Imidolactam - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Alkyl phosphate - Phosphoric acid ester - Pyrimidine - Tetrahydrofuran - Azole - Heteroaromatic compound - Imidazole - Secondary alcohol - Cyclic ketone - Thiocarboxylic acid ester - Amino acid or derivatives - Ketone - Carbothioic s-ester - Sulfenyl compound - Thiocarboxylic acid or derivatives - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organosulfur compound - Organic oxide - Amine - Carbonyl group - Organonitrogen compound - Primary amine - Organooxygen compound - Alcohol - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-enoyl coas. These are organic compounds containing a coenzyme A substructure linked to a 2-enoyl chain.
External Descriptors
CHEBI:86413 : acyl-CoA(4-)