Structural formula of 9(Z),12(Z)-Octadecadienoyl Coenzyme A, free acid

9(Z),12(Z)-Octadecadienoyl Coenzyme A, free acid

Product number: 19-1820
CAS number: 6709-57-5
Synonyms: S-Linoleoyl-CoA, Linoleyl-coenzyme A, Coenzyme A, S-9,12-octadecadienoate, (Z,Z)-, Linoleoyl coenzyme A, Linoleoyl-CoA, (Z,Z)-9,12-Octadecadienoyl-CoA, Coenzyme A, S-linoleate, Linoleyl-CoA

Identifiers

CAS Index Name: Coenzyme A, S-(9Z,12Z)-9,12-octadecadienoate
Molecular formula: C39H66N7O17P3S
Molecular weight: 1029.97
Lipid number: C18:2 CoA
Smiles: O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)(O)O)CCCCCCCC=CCC=CCCCCC
Isomeric Smiles: OC1C(N2C=3C(N=C2)=C(N)N=CN3)OC(COP(OP(OCC(C(C(NCCC(NCCSC(CCCCCCCC=CCC=CCCCCC)=O)=O)=O)O)(C)C)(=O)O)(=O)O)C1OP(=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: InChIKey=YECLLIMZHNYFCK-RRNJGNTNSA-N

Product information

Purity: >95%
Storage: Freezer
Supplied as: Neat
Physical state: Solid
Documentation: Certificate of Analysis
MSDS: Ask for MSDS

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