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Linoleoyl-CoA

CAT: 0804-HY-166119Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-166119Size:1 Each
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Description
9 (Z),12 (Z) -Octadecadienoyl coenzyme ((Z, Z) -9,12-Octadecadienoyl-COA) is an ester product.
CAS Number
6709-57-5
Product Name Alternative
Linoleoyl Coenzyme A; 9 (Z),12 (Z) -Octadecadienoyl Coenzyme A; 9Z,12Z-Octadecadienoyl-CoA; 9Z,12Z-Octadecadienoyl-coenzyme A
UNSPSC
12352211
Target
Biochemical Assay Reagents
Type
Natural Products
Related Pathways
Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/9-z-12-z-octadecadienoyl-coenzyme.html
Smiles
NC1=NC=NC2=C1N=CN2[C@H]3[C@H](O)[C@H](OP(O)(O)=O)[C@@H](COP(OP(OCC(C)(C)[C@@H](O)C(NCCC(NCCSC(CCCCCCC/C=C\C/C=C\CCCCC)=O)=O)=O)(O)=O)(O)=O)O3
Molecular Formula
C39H66N7O17P3S
Molecular Weight
1029.96
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Linoleoyl-coa

Linoleoyl-CoA is an octadecadienoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of linoleic acid. It has a role as a mouse metabolite. It is an octadecadienoyl-CoA and a linoleoyl bioconjugate. It is functionally related to a coenzyme A. It is a conjugate acid of a linoleoyl-CoA(4-).

CAS Number6709-57-5
PubChem CID5497112
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] (9Z,12Z)-octadeca-9,12-dienethioate
Molecular FormulaC39H66N7O17P3S
Molecular Weight1030.0
XLogP1.1
Topological Polar Surface Area389
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count22
Rotatable Bond Count34
Heavy Atom Count67
Formal Charge0
Complexity1750
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=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/C39H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h8-9,11-12,26-28,32-34,38,49-50H,4-7,10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b9-8-,12-11-/t28-,32-,33-,34+,38-/m1/s1
InChIKey
YECLLIMZHNYFCK-RRNJGNTNSA-N
Chemical Structure
2D Structure
2D structure of Linoleoyl-coa
CAS: 6709-57-5
CID: 5497112
Formula: C39H66N7O17P3S
MW: 1030.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1030.0
XLogP31.1
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count22
Rotatable Bond Count34
Exact Mass1029.34487583
Monoisotopic Mass1029.34487583
Topological Polar Surface Area389 Ų
Heavy Atom Count67
Formal Charge0
Complexity1750
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS1436064-01Recombinant Synechocystis sp. Linoleoyl-CoA desaturase (des6)
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MBS3848106-01Linoleoyl phenylalanine
abx283534-01Linoleoyl glycine
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T32768Linoleoyl-coenzyme A
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