(S)-3-Hydroxydecanoyl-CoA
Grundinformationen
- CAS
79171-49-6- Standard-SMILES
CCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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- InChIKey
HIVSMYZAMUNFKZ-PNPVFPMQSA-N- Summenformel
- C31H54N7O18P3S
- Durchschnittliche Molmasse
- 937,8 g/mol
- Monoisotopische Masse
- 937,24589007
Überblick
(S)-3-hydroxydecanoyl-CoA is a 3-hydroxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-hydroxydecanoic acid. It has a role as a Saccharomyces cerevisiae metabolite and a human metabolite. It is functionally related to a decanoic acid and a (S)-3-hydroxydecanoic acid. It is a conjugate acid of a (S)-3-hydroxydecanoyl-CoA(4-).
Namen und Bezeichner
- Bevorzugter Name
- (S)-3-Hydroxydecanoyl-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] (3S)-3-hydroxydecanethioate
- Englischer Name
- 3-hydroxydecanoyl-coenzyme A
- Summenformel
- C31H54N7O18P3S
- Molmasse
- 937.79
Namen und Synonyme
(S)-3-Hydroxydecanoyl-CoA(S)-Hydroxydecanoyl-CoAbeta-hydroxydecanoyl-CoAbeta-hydroxydecanoyl coenzyme A3-OH C10:0-CoAcoenzyme A S-3-hydroxydecanoateS-(3-hydroxydecanoyl)coenzyme A3-OH 10:0-CoA(S)-3-hydroxydecanoyl-coenzyme AA1JZ13'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxydecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}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] (3S)-3-hydroxydecanethioate
Weitere Namen anzeigen
3-hydroxydecanoyl-coenzyme AS-[(3S)-3-hydroxydecanoate]-CoACoenzyme A, S-[(3S)-3-hydroxydecanoate]
3S-hydroxydecanoyl-CoASCHEMBL2934683CoA 10:0;OSCHEMBL41939125CHEBI:28325LMFA07050403C05264Q27103637
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -2,9
- Polarare Oberfläche (TPSA)
- 409 Ų
- H-Brücken-Donoren
- 10
- H-Brücken-Akzeptoren
- 23
- Frei drehbare Bindungen
- 28
- Schwere Atome
- 60
- Formalladung
- 0
- Komplexität
- 1.550
Experimentelle und physikochemische Eigenschaften
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Fatty acyl CoAs [FA0705]
Physikochemische Eigenschaften
- Dichte
- 1.7 · 1.70±0.1 g/cm3(Predicted)
- pka
- 1.16 · 1.16±0.50(Predicted)
Chemie und Industrie
Anbieter1 Anbieter
上海楷森生物科技有限公司17558870519 · [email protected]
Ergänzende Hinweise
DefinitionChEBI: A 3-hydroxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-hydroxydecanoic acid.
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