1-(6-[3]-ladderanehexanyl)-2-(8-[3]-ladderaneoctanyl)-sn-glycero-3-phosphocholine

Properties Image MNX_ID MNXM24540 reference chebi:136374 formula C46H80NO6P global charge 0 mol weight 774.121 InChIKey QQEHCXNZXKPTRM-NRVURWKZSA-N InChI InChI=1S/C46H80NO6P/c1-47(2,3)24-27-52-54(48,49)53-31-34(30-50-25-12-9-7-11-15-33-17-19-40-42(29-33)46-38-23-21-36(38)44(40)46)51-26-13-8-5-4-6-10-14-32-16-18-39-41(28-32)45-37-22-20-35(37)43(39)45/h32-46H,4-31H2,1-3H3/t32?,33?,34-,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?/m1/s1 SMILES C[N+](C)(C)CCOP(=O)([O-])OC[C@@H](COCCCCCCC1CCC2C(C1)C1C3CCC3C21)OCCCCCCCCC1CCC2C(C1)C1C3CCC3C21 MNX internals InChI (mnx) InChI=1/C46H80NO6P/c1-47(2,3)24-27-52-54(48,49)53-31-34(30-50-25-12-9-7-11-15-33-17-19-40-42(29-33)46-38-23-21-36(38)44(40)46)51-26-13-8-5-4-6-10-14-32-16-18-39-41(28-32)45-37-22-20-35(37)43(39)45/h32-46H,4-31H2,1-3H3/t32?,33?,34-,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?/m1/s1 SMILES (mnx) [CH3:1][N+:47]([CH3:2])([CH3:3])[CH2:24][CH2:27][O:52][P:54](=[O:48])([O-:49])[O:53][CH2:31][C@@H:34]([CH2:30][O:50][CH2:25][CH2:12][CH2:9][CH2:7][CH2:11][CH2:15][CH:33]1[CH2:17][CH2:19][CH:40]2[CH:42]([CH2:29]1)[CH:46]1[CH:38]3[CH2:23][CH2:21][CH:36]3[CH:44]21)[O:51][CH2:26][CH2:13][CH2:8][CH2:5][CH2:4][CH2:6][CH2:10][CH2:14][CH:32]1[CH2:16][CH2:18][CH:39]2[CH:41]([CH2:28]1)[CH:45]1[CH:37]3[CH2:22][CH2:20][CH:35]3[CH:43]21

Parent-child relations graph

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