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Farnesoyl-CoA

CAT: 0013-GTR19268601-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19268601-01Size:10 mg
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Description
Farnesoyl-CoA (Farnesoyl-coenzyme A) is a derivative of coenzyme A.
CAS Number
2762498-46-2
Smiles
O[C@H]1[C@H] (N2C=3C (N=C2) =C (N) N=CN3) O[C@H] (COP (OP (OCC ([C@H] (C (NCCC (NCCSC (/C=C (/CC/C=C (/CCC=C (C) C) \C) \C) =O) =O) =O) O) (C) C) (=O) O) (=O) O) [C@H]1OP (=O) (O) O
Molecular Formula
C36H58N7O17P3S
Molecular Weight
985.87
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Farnesoyl-CoA

Farnesoyl-CoA is a multi-methyl-branched fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of farnesoic acid. It is a multi-methyl-branched fatty acyl-CoA, an unsaturated fatty acyl-CoA and a medium-chain fatty acyl-CoA. It is functionally related to a coenzyme A and a farnesoic acid.

CAS Number2762498-46-2
PubChem CID11966207
IUPAC NameS-[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] (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienethioate
Molecular FormulaC36H58N7O17P3S
Molecular Weight985.9
XLogP-0.5
Topological Polar Surface Area389
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count22
Rotatable Bond Count27
Heavy Atom Count64
Formal Charge0
Complexity1830
SMILES
CC(=CCC/C(=C/CC/C(=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)/C)/C)C
InChI
InChI=1S/C36H58N7O17P3S/c1-22(2)9-7-10-23(3)11-8-12-24(4)17-27(45)64-16-15-38-26(44)13-14-39-34(48)31(47)36(5,6)19-57-63(54,55)60-62(52,53)56-18-25-30(59-61(49,50)51)29(46)35(58-25)43-21-42-28-32(37)40-20-41-33(28)43/h9,11,17,20-21,25,29-31,35,46-47H,7-8,10,12-16,18-19H2,1-6H3,(H,38,44)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/b23-11+,24-17+/t25-,29-,30-,31+,35-/m1/s1
InChIKey
JJFLTPJLELNRAZ-HKVUSDLYSA-N
Chemical Structure
2D Structure
2D structure of Farnesoyl-CoA
CAS: 2762498-46-2
CID: 11966207
Formula: C36H58N7O17P3S
MW: 985.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight985.9
XLogP3-0.5
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count22
Rotatable Bond Count27
Exact Mass985.28227557
Monoisotopic Mass985.28227557
Topological Polar Surface Area389 Ų
Heavy Atom Count64
Formal Charge0
Complexity1830
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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