Products for Research Use Only
RegisterLogin

4-Methylpentanoyl-CoA

CAT: 0931-TYD-02949-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-TYD-02949-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
89436-24-8
Target
Others
Related Pathways
Others
Bioactivity
4-Methylpentanoyl-CoA (4-Methylpentanoyl-coenzyme A) is a methyl-branched fatty acyl-CoA.
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(CCC(C)C)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O
Molecular Formula
C27H46N7O17P3S
Molecular Weight
865.68
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-methylpentanoyl-CoA

4-methylpentanoyl-CoA is a methyl-branched fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 4-methylpentanoic acid. It is a methyl-branched fatty acyl-CoA and a short-chain fatty acyl-CoA. It is functionally related to an isocaproic acid. It is a conjugate acid of a 4-methylpentanoyl-CoA(4-).

CAS Number89436-24-8
PubChem CID89600975
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] 4-methylpentanethioate
Molecular FormulaC27H46N7O17P3S
Molecular Weight865.7
XLogP-4
Topological Polar Surface Area389
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count22
Rotatable Bond Count23
Heavy Atom Count55
Formal Charge0
Complexity1460
SMILES
CC(C)CCC(=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/C27H46N7O17P3S/c1-15(2)5-6-18(36)55-10-9-29-17(35)7-8-30-25(39)22(38)27(3,4)12-48-54(45,46)51-53(43,44)47-11-16-21(50-52(40,41)42)20(37)26(49-16)34-14-33-19-23(28)31-13-32-24(19)34/h13-16,20-22,26,37-38H,5-12H2,1-4H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/t16-,20-,21-,22+,26-/m1/s1
InChIKey
GESPQCUXDWNNGU-HDRQGHTBSA-N
Chemical Structure
2D Structure
2D structure of 4-methylpentanoyl-CoA
CAS: 89436-24-8
CID: 89600975
Formula: C27H46N7O17P3S
MW: 865.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight865.7
XLogP3-4
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count22
Rotatable Bond Count23
Exact Mass865.18837519
Monoisotopic Mass865.18837519
Topological Polar Surface Area389 Ų
Heavy Atom Count55
Formal Charge0
Complexity1460
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
TYD-03704-015-Methylheptanoyl-CoA
TYD-02899-013-Methylheptanoyl-CoA
TYD-03791-014-Oxooctanoyl-CoA
TYD-03033-014-Oxopentanoyl-CoA
TYD-04102-014-Acetamidobutanoyl-CoA
TYD-03045-014-Phenylbutanoyl-CoA
TYD-02926-014-Methylnonadecanoyl-CoA
TXB-00747-01(4-Hydroxybenzoyl) -CoA
TXB-00627-01(4-Chlorobenzoyl) -CoA
TYD-02448-012,4,4-Trimethylpentanoyl-CoA

Alternative Products

CatalogName
GTR19267294-014-Methylpentanoyl-CoA
TRC-M917783-500MG4-Methylpentanoyl Chloride
HY-CE00132(3R) -3,5-Dihydroxy-3-methylpentanoyl-CoA
FC1602625-Chloro- 4- methylpentanoyl chloride
OR1070331-015-Chloro-4-methylpentanoyl chloride
JCA96079-012-Bromo-4-methylpentanoyl chloride
FUB68342-014- (2-Amino-4-methylpentanoyl) piperazin-2-one
436179-015-​Chloro-​4-​methylpentanoyl Chloride discontinued
TRC-H282880-2.5G4-Hydroxy-3-(4-methylpentanoyl)chromen-2-one
TRC-F202930-1G6-Fluoro-4-hydroxy-3-(4-methylpentanoyl)chromen-2-one

Popular Products