4-hydroxybutyryl-CoA

HCID 11966192

Grundinformationen

Standard-SMILES
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCO
InChIKey
BAMBWCGEVIAQBF-CITAKDKDSA-N
Summenformel
C25H42N7O18P3S
Durchschnittliche Molmasse
853,6 g/mol

Überblick

4-hydroxybutyryl-CoA is an acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxy group of 4-hydroxybutyric acid. It is functionally related to a 4-hydroxybutyric acid. It is a conjugate acid of a 4-hydroxybutyryl-CoA(4-).

Namen und Bezeichner

Bevorzugter Name
4-hydroxybutyryl-CoA
IUPAC
S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 4-hydroxybutanethioate

Namen und Synonyme

4-Hydroxybutyryl-CoA4-hydroxybutanoyl-CoA4-hydroxybutyryl-coenzyme ACHEBI:28522RefChem:99299coenzyme A, 4-hydroxybutyryl-3'-phosphoadenosine 5'-(3-((3R)-3-hydroxy-4-((3-((2-((4-hydroxybutanoyl)sulfanyl)ethyl)amino)-3-oxopropyl)amino)-2,2-dimethyl-4-oxobutyl)dihydrogen diphosphate);4-hydroxybutanoyl-coenzyme Agamma-hydroxybutyryl-CoAgamma-hydroxybutanoyl-CoA4-hydroxybutanoyl-coenzyme Agamma-hydroxybutyryl-coenzyme A3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(4-hydroxybutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]dihydrogen diphosphate}
Weitere Namen anzeigen
S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 4-hydroxybutanethioateSCHEMBL59555BAMBWCGEVIAQBF-CITAKDKDSA-NQ27103753

Datenbank-Bezeichner

PubChem CID
11966192
ChEBI
CHEBI:28522
Nikkaji
J907.603D

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-6
Polarare Oberfläche (TPSA)
409 Ų
H-Brücken-Donoren
10
H-Brücken-Akzeptoren
23
Frei drehbare Bindungen
23
Schwere Atome
54

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4

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