MF: C45H78NaO13P
MW: 881.1g/mol
IUPAC Name: sodium;[(2S)-2,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propyl] [(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate
Isomeric SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](COP(=O)([O-])OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC.[Na+]
InChIKey: NTGSBERWOLXQBK-OXCFANCGSA-M
InChI: InChI=1S/C45H79O13P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h11-14,17-20,37,40-45,48-52H,3-10,15-16,21-36H2,1-2H3,(H,53,54);/q;+1/p-1/b13-11-,14-12-,19-17-,20-18-;/t37-,40?,41-,42+,43+,44+,45?;/m0./s1
