ChemSpider 2D Image | (6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA | C45H72N7O17P3S

(6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA

  • Molecular FormulaC45H72N7O17P3S
  • Average mass1108.076 Da
  • Monoisotopic mass1107.391846 Da
  • ChemSpider ID26606360

  • 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

(6Z,9Z,12Z,15Z,18Z)-6,9,12,15,18-Tétracosapentaènethioate 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-diox ;o-3,5-dioxydo-2,4,6-trioxa-11,15-diaza-3λ5,5λ5-diphosphaheptadécan-17-yle} [French] [ACD/IUPAC Name]
(6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA
Adenosine, 5'-O-[hydroxy[[hydroxy[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[[(6Z,9Z,12Z,15Z,18Z)-1-oxo-6,9,12,15,18-tetracosapentaen-1-yl]thio]ethyl]amino]propyl]amino]butoxy]phosphinyl]oxy]p hosphinyl]-, 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} (6Z,9Z,12Z,15Z,18Z)-6,9,12,15,18-tetracosapentaenethioate [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}-(6Z,9Z,12Z,15Z,18Z)-6,9,12,15,18-tetracosapentaenthioat [German] [ACD/IUPAC Name]
24:5(n-6)
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-[(2-{[(6Z,9Z,12Z,15Z,18Z)-tetracosa-6,9,12,15,18-pentaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)butyl] dihydrogen diphosphate}
6Z,9Z,12Z,15Z,18Z-tetracosapentaenoyl-CoA
all-cis-6,9,12,15,18-tetracosapentaenoyl-CoA
CoA(24:5(6Z,9Z,12Z,15Z,18Z))
More...

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

CHEBI:63546 [DBID]
  • Miscellaneous

    • Chemical Class:

      An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (6<stereo>Z</stereo>,9<stereo>Z</stereo>,12<stereo>Z</stereo>,15<ster eo>Z</stereo>,18<stereo>Z</stereo>)-tetracosapentaenoic acid. It is a member of the n-6 PUFA and is the product of linoleic acid metabolism. ChEBI CHEBI:63546
      An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoic acid. It is a member of the n -6 PUFA and is the product of linoleic acid metabolism. ChEBI CHEBI:63546

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.609
Molar Refractivity: 269.0±0.5 cm3
#H bond acceptors: 24
#H bond donors: 10
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 3
ACD/LogP: 4.79
ACD/LogD (pH 5.5): -3.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 418 Å2
Polarizability: 106.6±0.5 10-24cm3
Surface Tension: 63.0±7.0 dyne/cm
Molar Volume: 777.3±7.0 cm3

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