1763-10-6
PALMITOYL COENZYME A POTASSIUM SALT
NamePALMITOYL COENZYME A POTASSIUM SALT
FormulaC37 H65 N7 O17 P3 S . K
1Identification
【Name】
PALMITOYL COENZYME A POTASSIUM SALT
【CAS】
【MDL】
MFCD02259056
【English Synonyms】
【Formula】
C37 H65 N7 O17 P3 S . K
【MolWeight】
1044.04
【Inchi】
InChI=1S/C37H66N7O17P3S.K/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44;/h24-26,30-32,36,47-48H,4-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52);/q;+1/p-1/t26-,30-,31-,32+,36-;/m1./s1
【InChIKey】
InChIKey=HJVKHXBDBUXHBT-NNGKVBCISA-M
【SMILES】
CCCCCCCCCCCCCCCC(=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.[K+]
【MOL File】
PALMITOYL COENZYME A….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:8
H bond acceptor:24
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PALMITOYL COENZYME A POTASSIUM SALT.cml