5(Z),8(Z),11(Z),14(Z)-Eicosatetraenoyl Coenzyme A Li salt
CAS number: 188174-63-2
Identifiers
CAS Index Name:
Coenzyme A, S-(5Z,8Z,11Z,14Z)-5,8,11,14-eicosatetraenoate, lithium salt
Molecular formula:
C41H66N7O17P3S.xLi
Molecular weight:
1060.92
Lipid number:
C20:4 CoA
Smiles:
[Li].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)CCCC=CCC=CCC=CCC=CCCCCC
Isomeric 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\C/C=C\C/C=C\C/C=C\CCCCC)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O.[Li]
InChI:
InChI=1S/C41H66N7O17P3S.Li/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48;/h8-9,11-12,14-15,17-18,28-30,34-36,40,51-52H,4-7,10,13,16,19-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56);/b9-8-,12-11-,15-14-,18-17-;/t30-,34-,35-,36+,40-;/m1./s1
InChIKey:
InChIKey=UEPDJWTVQVRRKJ-PPXCCCNFSA-N
Product information
Purity:
>98%
Storage:
Freezer
Supplied as:
Neat
Physical state:
Solid
Documentation:
Certificate of Analysis
MSDS:
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