Grundinformationen
- CAS
1716-06-9- Standard-SMILES
CCCCCCCC/C=C\CCCCCCCC(=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
XDUHQPOXLUAVEE-BPMMELMSSA-N- Summenformel
- C39H68N7O17P3S
- Durchschnittliche Molmasse
- 1.032 g/mol
- Monoisotopische Masse
- 1.031,36052589
Überblick
Oleoyl-CoA is an octadecenoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oleic acid. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is functionally related to a coenzyme A. It is a conjugate acid of an oleoyl-CoA(4-).
Namen und Bezeichner
- Bevorzugter Name
- Oleoyl-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] (Z)-octadec-9-enethioate
- Lokaler Name
- S-Oleoylcoenzym A
- Englischer Name
- Oleoyl coenzyme A
- Summenformel
- C39H68N7O17P3S
- Molmasse
- 1031.98
Namen und Synonyme
oleoyl-CoAOleoyl-coenzyme A1716-06-9cis-9-Octadecenoyl-CoAOleyl coenzyme AS-oleoyl-CoAcoenzyme A, oleoyl-(9Z)-octadec-9-enoyl-CoAcis-9-octadecenoyl-coenzyme Acis-Delta(9)-octadecenoyl-CoASPV646A327(9Z)-octadec-9-enoyl-coenzyme A
Weitere Namen anzeigen
Oleyl-CoAEinecs 216-998-8OLEOYL COENZYME AS-oleoylcoenzyme ACIS-9-OCTADECENOYL COENZYME ACoenzyme A (Z)-S-9-octadecenoateOLEOYL COENZYME A POTASSIUM SALTOleoyl coenzyme A dipotassium saltCoenzyme A, S-(9Z)-9-octadecenoate
cis-Delta(9)-octadecenoyl-coenzyme ACHEBI:15534DTXSID601318533S-[(9Z)-octadec-9-enoyl]-CoAS-[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] (Z)-octadec-9-enethioateS-[(9Z)-octadec-9-enoyl]-coenzyme AS-((9Z)-octadec-9-enoyl)-CoAS-((9Z)-octadec-9-enoyl)-coenzyme A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,8
- Polarare Oberfläche (TPSA)
- 389 Ų
- H-Brücken-Donoren
- 9
- H-Brücken-Akzeptoren
- 22
- Frei drehbare Bindungen
- 35
- Schwere Atome
- 67
- Formalladung
- 0
- Komplexität
- 1.700
Experimentelle und physikochemische Eigenschaften
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Fatty acyl CoAs [FA0705]
Physical DescriptionSolid
Collision Cross Section299.4 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
Physikochemische Eigenschaften
- Dichte
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- storage temp.
- 0 °C · Store at 0°C
- pka
- 1.16 · 1.16±0.50(Predicted)
- Aggregatzustand
- Powder
- Farbe
- White
Chemie und Industrie
Pharmakologische Informationen
Tissue LocationsIntestine
Cellular LocationsExtracellular
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