Structural formula of 9(Z)-Octadecenoyl Coenzyme A K salt

9(Z)-Octadecenoyl Coenzyme A K salt

Product number: 19-1815
CAS number: 369657-01-2

Identifiers

CAS Index Name: Coenzyme A, S-(9Z)-9-octadecenoate, potassium salt
Molecular formula: C39H68N7O17P3S.xK
Molecular weight: 1162.2
Lipid number: C18:1 CoA
Smiles: [K].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=CCCCCCCCC
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(CCCCCCC/C=C\CCCCCCCC)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O.[K]
InChI: InChI=1S/C39H68N7O17P3S.K/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;/h11-12,26-28,32-34,38,49-50H,4-10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54);/b12-11-;/t28-,32-,33-,34+,38-;/m1./s1
InChIKey: InChIKey=BRQUIFZVFNZOGA-NMGRLVKYSA-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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Citations