Products for Research Use Only
RegisterLogin

3-Methyldodecanoyl-CoA

CAT: 0804-HY-CE01052Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-CE01052Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
3-Methyldodecanoyl-CoA (3-Methyldodecanoyl-coenzyme A) is a derivative of coenzyme A[1].
CAS Number
711027-67-7
Product Name Alternative
3-Methyldodecanoyl-coenzyme A
UNSPSC
12352204
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Metabolic Disease
Smiles
CC([C@H](C(NCCC(NCCSC(CC(CCCCCCCCC)C)=O)=O)=O)O)(C)COP(OP(OC[C@H]1O[C@@H](N2C3=NC=NC(N)=C3N=C2)[C@H](O)[C@@H]1OP(O)(O)=O)(O)=O)(O)=O
Molecular Formula
C34H60N7O17P3S
Molecular Weight
963.86
References & Citations
[1]3-Methyldodecanoyl-CoA
Shipping Conditions
Room temperature
Scientific Category
Enzyme
Clinical Information
No Development Reported

Chemical Information

3-methyldodecanoyl-coenzyme A

3-methyldodecanoyl-CoA is a hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-methyldodecanoic acid. It is a saturated fatty acyl-CoA, a methyl-branched fatty acyl-CoA and a medium-chain fatty acyl-CoA. It is a conjugate acid of a 3-methyldodecanoyl-CoA(4-).

CAS Number711027-67-7
PubChem CID131708355
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] 3-methyldodecanethioate
Molecular FormulaC34H60N7O17P3S
Molecular Weight963.9
XLogP0
Topological Polar Surface Area389
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count22
Rotatable Bond Count30
Heavy Atom Count62
Formal Charge0
Complexity1590
SMILES
CCCCCCCCCC(C)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
InChI
InChI=1S/C34H60N7O17P3S/c1-5-6-7-8-9-10-11-12-22(2)17-25(43)62-16-15-36-24(42)13-14-37-32(46)29(45)34(3,4)19-55-61(52,53)58-60(50,51)54-18-23-28(57-59(47,48)49)27(44)33(56-23)41-21-40-26-30(35)38-20-39-31(26)41/h20-23,27-29,33,44-45H,5-19H2,1-4H3,(H,36,42)(H,37,46)(H,50,51)(H,52,53)(H2,35,38,39)(H2,47,48,49)/t22?,23-,27-,28-,29+,33-/m1/s1
InChIKey
IHISIHLMYMTWKU-UZDIFWIKSA-N
Chemical Structure
2D Structure
2D structure of 3-methyldodecanoyl-coenzyme A
CAS: 711027-67-7
CID: 131708355
Formula: C34H60N7O17P3S
MW: 963.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight963.9
XLogP30
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count22
Rotatable Bond Count30
Exact Mass963.29792564
Monoisotopic Mass963.29792564
Topological Polar Surface Area389 Ų
Heavy Atom Count62
Formal Charge0
Complexity1590
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-CE013708-Methyldodecanoyl-CoA
HY-CE013297-Methyldodecanoyl-CoA
HY-CE014909-Methyldodecanoyl-CoA
HY-CE015115-Methyldodecanoyl-CoA
HY-CE014086-Methyldodecanoyl-CoA
HY-CE0052810-Methyldodecanoyl-CoA
HY-CE011443-Oxo-11-methyldodecanoyl-CoA
HY-CE00305(S) -3-Hydroxy-11-methyldodecanoyl-CoA
HY-CE011153-Methyldecanoyl-CoA
HY-CE011803-Oxo-9-methyldecanoyl-CoA

Alternative Products

CatalogName
TYD-02910-013-Methyldodecanoyl-CoA
TYD-03294-018-Methyldodecanoyl-CoA
GTR19253294-0110-Methyldodecanoyl-CoA
GTR19267389-019-Methyldodecanoyl-CoA
TYD-03425-016-Methyldodecanoyl-CoA
GTR19267579-015-Methyldodecanoyl-CoA
GTR19267311-013-Oxo-11-methyldodecanoyl-CoA
TYD-03664-017-Methyldodecanoyl-CoA
GTR19253362-01(S) -3-Hydroxy-11-methyldodecanoyl-CoA
UFA31997-013-Indolepropionyl-coa

Popular Products