PC(DiMe(9,3)/MonoMe(9,5))

Properties Image MNX_ID MNXM159268 reference hmdb:HMDB0061425 formula C45H79NO10P global charge 1 mol weight 825.098 InChIKey AGHFPRCTCDCWRH-UHFFFAOYSA-O InChI InChI=1S/C45H78NO10P/c1-9-11-20-26-39-33-36(3)41(54-39)27-21-16-12-15-19-24-30-45(48)55-40(35-53-57(49,50)52-32-31-46(6,7)8)34-51-44(47)29-23-18-14-13-17-22-28-43-38(5)37(4)42(56-43)25-10-2/h33,40H,9-32,34-35H2,1-8H3/p+1 SMILES CCCCCC1=CC(C)=C(CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(=O)(O)OCC[N+](C)(C)C)O1 MNX internals InChI (mnx) InChI=1/C45H78NO10P/c1-9-11-20-26-39-33-36(3)41(54-39)27-21-16-12-15-19-24-30-45(48)55-40(35-53-57(49,50)52-32-31-46(6,7)8)34-51-44(47)29-23-18-14-13-17-22-28-43-38(5)37(4)42(56-43)25-10-2/h33,40H,9-32,34-35H2,1-8H3/t40? SMILES (mnx) [CH3:1][CH2:9][CH2:11][CH2:20][CH2:26][C:39]1=[CH:33][C:36]([CH3:3])=[C:41]([CH2:27][CH2:21][CH2:16][CH2:12][CH2:15][CH2:19][CH2:24][CH2:30][C:45](=[O:48])[O:55][CH:40]([CH2:34][O:51][C:44]([CH2:29][CH2:23][CH2:18][CH2:14][CH2:13][CH2:17][CH2:22][CH2:28][C:43]2=[C:38]([CH3:5])[C:37]([CH3:4])=[C:42]([CH2:25][CH2:10][CH3:2])[O:56]2)=[O:47])[CH2:35][O:53][P:57](=[O:49])([O-:50])[O:52][CH2:32][CH2:31][N+:46]([CH3:6])([CH3:7])[CH3:8])[O:54]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0