Products for Research Use Only
RegisterLogin

16-Methyloctadecanoyl-CoA

CAT: 0804-HY-CE00495Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-CE00495Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
16-Methyloctadecanoyl-CoA (16-Methyloctadecanoyl-coenzyme A) is a coenzyme A derivative.
CAS Number
898249-75-7
Product Name Alternative
16-Methyloctadecanoyl-coenzyme A
UNSPSC
12352204
Target
Biochemical Assay Reagents
Related Pathways
Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Smiles
CCC(CCCCCCCCCCCCCCC(SCCNC(CCNC([C@H](O)C(C)(C)COP(OP(OC[C@H]([C@H]1OP(O)(O)=O)O[C@@H](N2C3=NC=NC(N)=C3N=C2)[C@@H]1O)(O)=O)(O)=O)=O)=O)=O)C
Molecular Formula
C40H72N7O17P3S
Molecular Weight
1048.02
References & Citations
[1]16-Methyloctadecanoyl-CoA
Shipping Conditions
Room temperature
Scientific Category
Enzyme
Clinical Information
No Development Reported

Chemical Information

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] 16-methyloctadecanethioate
CAS Number898249-75-7
PubChem CID177822868
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-methyloctadecanethioate
Molecular FormulaC40H72N7O17P3S
Molecular Weight1048.0
XLogP3
Topological Polar Surface Area389
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count22
Rotatable Bond Count36
Heavy Atom Count68
Formal Charge0
Complexity1690
SMILES
CCC(C)CCCCCCCCCCCCCCC(=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
InChI
InChI=1S/C40H72N7O17P3S/c1-5-28(2)18-16-14-12-10-8-6-7-9-11-13-15-17-19-31(49)68-23-22-42-30(48)20-21-43-38(52)35(51)40(3,4)25-61-67(58,59)64-66(56,57)60-24-29-34(63-65(53,54)55)33(50)39(62-29)47-27-46-32-36(41)44-26-45-37(32)47/h26-29,33-35,39,50-51H,5-25H2,1-4H3,(H,42,48)(H,43,52)(H,56,57)(H,58,59)(H2,41,44,45)(H2,53,54,55)/t28?,29-,33-,34-,35+,39-/m1/s1
InChIKey
QGRXNEZTARSWSR-FQUAXEBYSA-N
Chemical Structure
2D Structure
2D structure of 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] 16-methyloctadecanethioate
CAS: 898249-75-7
CID: 177822868
Formula: C40H72N7O17P3S
MW: 1048.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1048.0
XLogP33
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count22
Rotatable Bond Count36
Exact Mass1047.39182602
Monoisotopic Mass1047.39182602
Topological Polar Surface Area389 Ų
Heavy Atom Count68
Formal Charge0
Complexity1690
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-CE013347-Methyloctadecanoyl-CoA
HY-CE014669-Methyloctadecanoyl-CoA
HY-CE013758-Methyloctadecanoyl-CoA
HY-CE0053517-Methyloctadecanoyl-CoA
HY-CE014136-Methyloctadecanoyl-CoA
HY-CE0087614-Methyloctadecanoyl-CoA
HY-CE0083013-Methyloctadecanoyl-CoA
HY-CE0059211-Methyloctadecanoyl-CoA
HY-CE015215-Methyloctadecanoyl-CoA
HY-CE011303-Methyloctadecanoyl-CoA

Alternative Products

CatalogName
TXB-00778-0116-Methyloctadecanoyl-CoA
TYD-02337-0115-Methyloctadecanoyl-CoA
TYD-02176-0111-Methyloctadecanoyl-CoA
TYD-03580-018-Methyloctadecanoyl-CoA
GTR19253429-0113-Methyloctadecanoyl-CoA
GTR19252960-0114-Methyloctadecanoyl-CoA
TYD-02512-0117-Methyloctadecanoyl-CoA
GTR19267372-015-Methyloctadecanoyl-CoA
GTR19267275-013-Methyloctadecanoyl-CoA
TYD-03631-017-Methyloctadecanoyl-CoA

Popular Products