ChemSpider 2D Image | alpha-linolenoyl-CoA | C39H64N7O17P3S

α-linolenoyl-CoA

  • Molecular FormulaC39H64N7O17P3S
  • Average mass1027.948 Da
  • Monoisotopic mass1027.329224 Da
  • ChemSpider ID21865968

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(9Z,12Z,15Z)-9,12,15-Octadécatriènethioate de S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tétrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-diméthyl-10,14-dioxo-3,5-dioxydo-2 ;,4,6-trioxa-11,15-diaza-3λ5,5λ5-diphosphaheptadécan-17-yle} [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[hydroxy[[hydroxy[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]thio]ethyl]amino]propyl]amino]butoxy]phosphinyl]oxy]phosphinyl]-, 3' -(dihydrogen phosphate) [ACD/Index Name]
S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3λ5,5λ5- diphosphaheptadecan-17-yl} (9Z,12Z,15Z)-9,12,15-octadecatrienethioate [ACD/IUPAC Name]
S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3λ5,5λ5- diphosphaheptadecan-17-yl}-(9Z,12Z,15Z)-9,12,15-octadecatrienthioat [German] [ACD/IUPAC Name]
α-linolenoyl-CoA
(9Z,12Z,15Z)-9,12,15-octadecatrienoyl-CoA
(9Z,12Z,15Z)-9,12,15-octadecatrienoyl-coenzyme A
(9Z,12Z,15Z)-Octadecatrienoyl-CoA
(Z,Z,Z)-9,12,15-octadecatrienoyl-CoA
(Z,Z,Z)-9,12,15-octadecatrienoyl-coenzyme A
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CHEBI:51985 [DBID]
  • Miscellaneous

    • Chemical Class:

      An octadecatrienoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of alpha-linolenic acid. ChEBI CHEBI:51985
      An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of <greek>alpha</greek>-linolenic acid. ChEBI CHEBI:51985

    • Compound Source:

      juniperonate biosynthesis PlantCyc LINOLENOYL-COA
      Linum usitatissimum PlantCyc LINOLENOYL-COA

    • Bio Activity:

      malonyl-CoA + alpha-linolenoyl-CoA + H+ -> 3-oxo-icosatrienoyl-CoA + CO2 + coenzyme A PlantCyc LINOLENOYL-COA

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.626
Molar Refractivity: 241.3±0.5 cm3
#H bond acceptors: 24
#H bond donors: 10
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 3
ACD/LogP: 2.89
ACD/LogD (pH 5.5): -5.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 418 Å2
Polarizability: 95.7±0.5 10-24cm3
Surface Tension: 68.3±7.0 dyne/cm
Molar Volume: 681.3±7.0 cm3

Click to predict properties on the Chemicalize site


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