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7-Oxodecanoyl-CoA

CAT: 0804-HY-CE01342Size: 1 EachDry Ice: NoHazardous: No
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Description
7-Oxodecanoyl-CoA (7-Oxodecanoyl-coenzyme A) is a coenzyme A derivative[1].
CAS Number
50732-02-0
Product Name Alternative
7-Oxodecanoyl-coenzyme A
UNSPSC
12352204
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Metabolic Disease
Smiles
CCCC(=O)CCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O
Molecular Formula
C31H52N7O18P3S
Molecular Weight
935.77
References & Citations
[1]7-Oxodecanoyl-CoA
Shipping Conditions
Room temperature
Scientific Category
Enzyme
Clinical Information
No Development Reported

Chemical Information

7-Oxodecanoyl-CoA
CAS Number50732-02-0
PubChem CID157009025
IUPAC NameS-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 7-oxodecanethioate
Molecular FormulaC31H52N7O18P3S
Molecular Weight935.8
XLogP-4
Topological Polar Surface Area406
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count23
Rotatable Bond Count28
Heavy Atom Count60
Formal Charge0
Complexity1600
SMILES
CCCC(=O)CCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O
InChI
InChI=1S/C31H52N7O18P3S/c1-4-8-19(39)9-6-5-7-10-22(41)60-14-13-33-21(40)11-12-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-18,20,24-26,30,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)
InChIKey
AFHNRHOVFYWILB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Oxodecanoyl-CoA
CAS: 50732-02-0
CID: 157009025
Formula: C31H52N7O18P3S
MW: 935.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight935.8
XLogP3-4
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count23
Rotatable Bond Count28
Exact Mass935.23024000
Monoisotopic Mass935.23024000
Topological Polar Surface Area406 Ų
Heavy Atom Count60
Formal Charge0
Complexity1600
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TYD-03400-017-Oxodecanoyl-CoA
TYD-03391-019-Oxodecanoyl-CoA
TYD-03278-018-Oxodecanoyl-CoA
TYD-02955-013-Oxodecanoyl-CoA
GTR19267901-015-Oxodecanoyl-CoA
TYD-03447-017-Hydroxydecanoyl-CoA
TYD-03282-017-Hydroxyoctadecanoyl-CoA
TYD-03230-017-MethylHexadecanoyl-CoA
TYD-03083-017-Hydroxyundecanoyl-CoA
TYD-03898-017-Hydroxyhexadecanedioyl-CoA

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