Oleoyl coenzyme A

Molecular FormulaC₃₉H₆₈N₇O₁₇P₃S
Average mass1031.980 Da
Monoisotopic mass1031.360474 Da
ChemSpider ID4593689

- Double-bond stereo
- 5 of 5 defined stereocentres

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Names and Synonyms
Database ID(s)

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

Oleoyl coenzyme A

(9Z)-9-Octadécènethioate 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]

(9Z)-octadec-9-enoyl-CoA

(9Z)-octadec-9-enoyl-coenzyme A

(9Z)-octadecenoyl-CoA

9-Octadecenoyl-CoA

9-Octadecenoyl-coenzyme A

Adenosine, 5'-O-[hydroxy[[hydroxy[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[[(9Z)-1-oxo-9-octadecen-1-yl]thio]ethyl]amino]propyl]amino]butoxy]phosphinyl]oxy]phosphinyl]-, 3'-(dihydrogen phosp hate) [ACD/Index Name]

cis-9-Octadecenoyl-CoA

cis-9-octadecenoyl-coenzyme A

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oleoyl-CoA

Oleoyl-coenzyme A

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)-9-octadecenethioate [ACD/IUPAC Name]

[1716-06-9] [RN]

18:1, oleoyl-CoA 9-[5-O-[hydroxy[[hydroxy[[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[[(9Z)-1-oxo-9-octadecenyl]thio]ethyl]amino]propyl]amino]butyl]oxy]phosphinyl]oxy]phosphinyl]-3-O-phosphon

3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(9Z)-octadec-9-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}

3VV

9Z-octadecenoyl-CoA

CIS-9-OCTADECENOYL COENZYME A

cis-δ(9)-octadecenoyl-CoA

cis-δ(9)-octadecenoyl-coenzyme A

Coenzyme A, S-(9Z)-9-octadecenoate (9CI)

Coenzyme A, S-9-octadecenoate, (Z)-

Coenzyme A, S-oleate (7CI,8CI)

MFCD00871328

Oleyl coenzyme A

Oleyl-CoA

S-[(9Z)-octadec-9-enoyl]-CoA

S-[(9Z)-octadec-9-enoyl]-coenzyme A

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

S-{(3r,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-4-Hydroxy-3-(Phosphonooxy)tetrahydrofuran-2-Yl]-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)-Octadec-9-Enethioate (Non-Preferred Name)

S-oleoyl-CoA

S-Oleoylcoenzyme A

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

CHEBI:15534 [DBID]

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon

Miscellaneous

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:	35
#Rule of 5 Violations:	3

ACD/LogP:	4.09
ACD/LogD (pH 5.5):	-3.62
ACD/BCF (pH 5.5):	1.00
ACD/KOC (pH 5.5):	1.00
ACD/LogD (pH 7.4):	-4.46
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

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Oleoyl coenzyme A

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