Products for Research Use Only
RegisterLogin

16-Hydroxypalmitoyl-CoA

CAT: 0804-HY-CE00505Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-CE00505Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
16-Hydroxypalmitoyl-CoA (16-Hydroxyhexadecanoyl-coenzyme A) is a coenzyme A derivative.
CAS Number
111261-48-4
Product Name Alternative
16-Hydroxyhexadecanoyl-coenzyme A
UNSPSC
12352204
Target
Biochemical Assay Reagents
Related Pathways
Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Smiles
CC(COP(O)(OP(O)(OC[C@@H]1[C@@H](OP(O)(O)=O)[C@@H](O)[C@H](N2C=NC3=C(N)N=CN=C32)O1)=O)=O)([C@@H](O)C(NCCC(NCCSC(CCCCCCCCCCCCCCCO)=O)=O)=O)C
Molecular Formula
C37H66N7O18P3S
Molecular Weight
1021.94
References & Citations
[1]16-Hydroxypalmitoyl-CoA
Shipping Conditions
Room temperature
Scientific Category
Enzyme
Clinical Information
No Development Reported

Chemical Information

16-hydroxypalmitoyl-CoA

16-hydroxyhexadecanoyl-CoA is an -hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 16-hydroxyhexadecanoic acid. It has a role as a plant metabolite. It is a long-chain fatty acyl-CoA, an omega-hydroxy fatty acyl-CoA and an 11,12-saturated fatty acyl-CoA. It is functionally related to a 16-hydroxyhexadecanoic acid. It is a conjugate acid of a 16-hydroxyhexadecanoyl-CoA(4-).

CAS Number111261-48-4
PubChem CID86583441
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] 16-hydroxyhexadecanethioate
Molecular FormulaC37H66N7O18P3S
Molecular Weight1021.9
XLogP0.1
Topological Polar Surface Area409
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count23
Rotatable Bond Count35
Heavy Atom Count66
Formal Charge0
Complexity1640
SMILES
CC(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)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCO)O
InChI
InChI=1S/C37H66N7O18P3S/c1-37(2,32(49)35(50)40-18-17-27(46)39-19-21-66-28(47)16-14-12-10-8-6-4-3-5-7-9-11-13-15-20-45)23-59-65(56,57)62-64(54,55)58-22-26-31(61-63(51,52)53)30(48)36(60-26)44-25-43-29-33(38)41-24-42-34(29)44/h24-26,30-32,36,45,48-49H,3-23H2,1-2H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/t26-,30-,31-,32+,36-/m1/s1
InChIKey
ROZGNNDROQHXPF-BBECNAHFSA-N
Chemical Structure
2D Structure
2D structure of 16-hydroxypalmitoyl-CoA
CAS: 111261-48-4
CID: 86583441
Formula: C37H66N7O18P3S
MW: 1021.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1021.9
XLogP30.1
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count23
Rotatable Bond Count35
Exact Mass1021.33979045
Monoisotopic Mass1021.33979045
Topological Polar Surface Area409 Ų
Heavy Atom Count66
Formal Charge0
Complexity1640
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-CE02025β-Hydroxypalmitoyl-CoA
HY-CE005562-Hydroxypalmitoyl-CoA
HY-CE00409(S) -3-Hydroxypalmitoyl-CoA
HY-CE00472(R) -3-Hydroxypalmitoyl-CoA
HY-CE0048916-Methyldocosanoyl-CoA
HY-CE0050116-Methyltricosanoyl-CoA
HY-CE0049216-Methylheptadecanoyl-CoA
HY-CE0049116-Methylhenicosanoyl-CoA
HY-CE0050816-Methylnonadecanoyl-CoA
HY-CE0049916-Methyltetracosanoyl-CoA

Alternative Products

CatalogName
GTR19253730-0116-Hydroxypalmitoyl-CoA
GTR19269035-01β-Hydroxypalmitoyl-CoA
TXB-00684-012-Hydroxypalmitoyl-CoA
GTR19253639-01(R) -3-Hydroxypalmitoyl-CoA
TXB-00723-01(S) -3-Hydroxypalmitoyl-CoA
QHA24936-01Hydroxypalmitoyl sphinganine
TYD-02406-0116-Methylheptadecanoyl-CoA
GTR19253305-0116-Methylhenicosanoyl-CoA
TYD-02385-0116-Methylnonadecanoyl-CoA
TYD-02348-0116-Methyldocosanoyl-CoA

Popular Products