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(R) -3-Hydroxytetradecanoyl-CoA

CAT: 0804-HY-CE00475Size: 1 EachDry Ice: NoHazardous: No
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Description
(R) -3-Hydroxytetradecanoyl-CoA ((R) -3-Hydroxytetradecanoyl-coenzyme A) is a 3-hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (R) -3-hydroxytetradecanoic acid.
CAS Number
26475-25-2
Product Name Alternative
(R) -3-Hydroxytetradecanoyl-coenzyme A
UNSPSC
12352204
Target
Biochemical Assay Reagents
Related Pathways
Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Smiles
CCCCCCCCCCC[C@](O)([H])CC(SCC/N=C(O)/CC/N=C(O)/[C@@](O)([H])C(C)(COP(O)(OP(O)(OC[C@](O1)([H])[C@](OP(O)(O)=O)([H])[C@](O)([H])[C@]1([H])N2C=NC(C2=NC=N3)=C3N)=O)=O)C)=O
Molecular Formula
C35H62N7O18P3S
Molecular Weight
993.89
References & Citations
[1] (R) -3-Hydroxytetradecanoyl-CoA
Shipping Conditions
Room temperature
Scientific Category
Enzyme
Clinical Information
No Development Reported

Chemical Information

(R)-3-hydroxytetradecanoyl-CoA

(R)-3-hydroxytetradecanoyl-CoA is a 3-hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (R)-3-hydroxytetradecanoic acid. It is a (R)-3-hydroxyacyl-CoA, a 3-hydroxy fatty acyl-CoA, a long-chain fatty acyl-CoA and an 11,12-saturated fatty acyl-CoA. It is functionally related to a (R)-3-hydroxytetradecanoic acid. It is a conjugate acid of a (R)-3-hydroxytetradecanoyl-CoA(4-).

CAS Number26475-25-2
PubChem CID71581193
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-hydroxytetradecanethioate
Molecular FormulaC35H62N7O18P3S
Molecular Weight993.9
XLogP-0.7
Topological Polar Surface Area409
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count23
Rotatable Bond Count32
Heavy Atom Count64
Formal Charge0
Complexity1620
SMILES
CCCCCCCCCCC[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/C35H62N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-23(43)18-26(45)64-17-16-37-25(44)14-15-38-33(48)30(47)35(2,3)20-57-63(54,55)60-62(52,53)56-19-24-29(59-61(49,50)51)28(46)34(58-24)42-22-41-27-31(36)39-21-40-32(27)42/h21-24,28-30,34,43,46-47H,4-20H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/t23-,24-,28-,29-,30+,34-/m1/s1
InChIKey
OXBHKMHNDGRDCZ-FZFQHCCSSA-N
Chemical Structure
2D Structure
2D structure of (R)-3-hydroxytetradecanoyl-CoA
CAS: 26475-25-2
CID: 71581193
Formula: C35H62N7O18P3S
MW: 993.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight993.9
XLogP3-0.7
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count23
Rotatable Bond Count32
Exact Mass993.30849032
Monoisotopic Mass993.30849032
Topological Polar Surface Area409 Ų
Heavy Atom Count64
Formal Charge0
Complexity1620
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

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