20:0 COENZYME A AMMONIUM SALT

CAS No.
799812-91-2
CCD No.
CCD07395881
Formula
C41 H71 N7 O17 P3 S . 3 H4 N
MolWeight
1113.15

Basic Information

Product Name: 20:0 COENZYME A AMMONIUM SALT
CAS: 799812-91-2
English Synonyms: ARACHIDOYL COENZYME A (AMMONIUM SALT) ; ARACHIDOYL COENZYME A AMMONIUM SALT ; 20:0 COENZYME A AMMONIUM SALT ; EICOSANOYL COENZYME A AMMONIUM SALT
MDL Number.: MFCD22416921
H bond acceptor: 24
H bond donor: 6
Smile: CCCCCCCCCCCCCCCCCCCC(=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)n2cnc3c2ncnc3N)O)OP(=O)(O)[O-])O.[NH4+].[NH4+].[NH4+]
InChi: InChI=1S/C41H74N7O17P3S.3H3N/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;;;/h28-30,34-36,40,51-52H,4-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56);3*1H3/t30-,34-,35-,36+,40-;;;/m1.../s1
InChiKey: InChIKey=FCQFGWHSMZFGCX-VDRJULEJSA-N

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