2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phosphocholine

Properties Image MNX_ID MNXM27347 reference chebi:193203 formula C28H52NO6P global charge 0 mol weight 529.699 InChIKey ZUCLYSUAXIPVLL-VMYIDWAWSA-N InChI InChI=1S/C28H52NO6P/c1-29(2,3)15-17-34-36(31,32)35-20-22(19-30)33-16-9-7-5-4-6-8-10-21-11-12-25-26(18-21)28-24-14-13-23(24)27(25)28/h21-28,30H,4-20H2,1-3H3/t21?,22-,23?,24?,25?,26?,27?,28?/m1/s1 SMILES C[N+](C)(C)CCOP(=O)([O-])OC[C@@H](CO)OCCCCCCCCC1CCC2C(C1)C1C3CCC3C21 MNX internals InChI (mnx) InChI=1/C28H52NO6P/c1-29(2,3)15-17-34-36(31,32)35-20-22(19-30)33-16-9-7-5-4-6-8-10-21-11-12-25-26(18-21)28-24-14-13-23(24)27(25)28/h21-28,30H,4-20H2,1-3H3/t21?,22-,23?,24?,25?,26?,27?,28?/m1/s1 SMILES (mnx) [CH3:1][N+:29]([CH3:2])([CH3:3])[CH2:15][CH2:17][O:34][P:36](=[O:31])([O-:32])[O:35][CH2:20][C@@H:22]([CH2:19][OH:30])[O:33][CH2:16][CH2:9][CH2:7][CH2:5][CH2:4][CH2:6][CH2:8][CH2:10][CH:21]1[CH2:11][CH2:12][CH:25]2[CH:26]([CH2:18]1)[CH:28]1[CH:24]3[CH2:14][CH2:13][CH:23]3[CH:27]21

Parent-child relations graph

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