Products for Research Use Only
RegisterLogin

(R) -3-Hydroxyoctanoyl-CoA

CAT: 0013-GTR19253782-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19253782-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
(R) -3-Hydroxyoctanoyl-CoA ((R) -3-Hydroxyoctanoyl-coenzyme A) is a type of (R) -3-hydroxyacyl-coenzyme A.
CAS Number
117249-49-7
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@@H] (CCCCC) O) =O) =O) =O) O) (C) C) (=O) O) (=O) O) [C@H]1OP (=O) (O) O
Molecular Formula
C29H50N7O18P3S
Molecular Weight
909.73
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(R)-3-hydroxyoctanoyl-CoA

(R)-3-hydroxyoctanoyl-CoA is an (R)-3-hydroxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (R)-3-hydroxyoctanoic acid. It is a (R)-3-hydroxyacyl-CoA and a hydroxy fatty acyl-CoA. It is functionally related to an octanoyl-CoA and a (R)-3-hydroxyoctanoic acid. It is a conjugate acid of a (R)-3-hydroxyoctanoyl-CoA(4-).

CAS Number117249-49-7
PubChem CID11966193
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] (3R)-3-hydroxyoctanethioate
Molecular FormulaC29H50N7O18P3S
Molecular Weight909.7
XLogP-4
Topological Polar Surface Area409
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count23
Rotatable Bond Count26
Heavy Atom Count58
Formal Charge0
Complexity1520
SMILES
CCCCC[C@H](CC(=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)O
InChI
InChI=1S/C29H50N7O18P3S/c1-4-5-6-7-17(37)12-20(39)58-11-10-31-19(38)8-9-32-27(42)24(41)29(2,3)14-51-57(48,49)54-56(46,47)50-13-18-23(53-55(43,44)45)22(40)28(52-18)36-16-35-21-25(30)33-15-34-26(21)36/h15-18,22-24,28,37,40-41H,4-14H2,1-3H3,(H,31,38)(H,32,42)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/t17-,18-,22-,23-,24+,28-/m1/s1
InChIKey
ATVGTMKWKDUCMS-JWBYWSJJSA-N
Chemical Structure
2D Structure
2D structure of (R)-3-hydroxyoctanoyl-CoA
CAS: 117249-49-7
CID: 11966193
Formula: C29H50N7O18P3S
MW: 909.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight909.7
XLogP3-4
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count23
Rotatable Bond Count26
Exact Mass909.21458994
Monoisotopic Mass909.21458994
Topological Polar Surface Area409 Ų
Heavy Atom Count58
Formal Charge0
Complexity1520
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19253723-013-Hydroxyoctanoyl-CoA
GTR19253733-01(S) -3-Hydroxyoctanoyl-CoA
GTR19268100-017-Hydroxyoctanoyl-CoA
GTR19267679-015-Hydroxyoctanoyl-CoA
GTR19267634-016-Hydroxyoctanoyl-CoA
GTR19253642-012-Fluoro-3-hydroxyoctanoyl-CoA
GTR19253234-01(R) -3-Hydroxymontanoyl-CoA
GTR19253668-01(R) -2-Hydroxybutanoyl-CoA
GTR19253607-01(R) -3-Hydroxydecanoyl-CoA
GTR19253639-01(R) -3-Hydroxypalmitoyl-CoA

Alternative Products

CatalogName
TXB-00665-013-Hydroxyoctanoyl-CoA
TXB-00612-01(R) -3-Hydroxyoctanoyl-CoA
HY-CE00144(3R) -3-Hydroxyoctanoyl-CoA
TXB-00656-01(S) -3-Hydroxyoctanoyl-CoA
HY-CE015565-Hydroxyoctanoyl-CoA
TYD-03356-016-Hydroxyoctanoyl-CoA
HY-CE013537-Hydroxyoctanoyl-CoA
TXB-00738-012-Fluoro-3-hydroxyoctanoyl-CoA
HY-W337872-01N- (3-Hydroxyoctanoyl) -L-homoserine lactone
HY-W040220N- (3-Hydroxyoctanoyl) -DL-homoserine lactone

Popular Products