1-(9Z,12Z,15Z-octadecatrienoyl)-2-tetracosanoyl-sn-glycero-3-phosphocholine

Properties Image MNX_ID MNXM69831 reference slm:000012023 formula C50H94NO8P global charge 0 mol weight 868.275 InChIKey MLBFAEXNKMJYBH-RWISIRGOSA-N InChI InChI=1S/C50H94NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,28,48H,6-8,10,12-14,16,18-20,22-27,29-47H2,1-5H3/b11-9-,17-15-,28-21-/t48-/m1/s1 SMILES CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C50H94NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,28,48H,6-8,10,12-14,16,18-20,22-27,29-47H2,1-5H3/b11-9-,17-15-,28-21-/t48-/m1/s1 SMILES (mnx) [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][C:50](=[O:53])[O:59][C@H:48]([CH2:46][O:56][C:49]([CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30]/[CH:28]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13]/[CH:11]=[CH:9]\[CH2:7][CH3:2])=[O:52])[CH2:47][O:58][P:60](=[O:54])([O-:55])[O:57][CH2:45][CH2:44][N+:51]([CH3:3])([CH3:4])[CH3:5]

Parent-child relations graph

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