PA(O-18:0/18:3(6Z,9Z,12Z))

Properties Image MNX_ID MNXM67313 reference chebi:183146 formula C39H73O7P global charge 0 mol weight 684.98 InChIKey BMAXIMHASVHMKO-NVPSEEHGSA-N InChI InChI=1S/C39H73O7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-44-36-38(37-45-47(41,42)43)46-39(40)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24,26,38H,3-11,13,15-17,19,21-23,25,27-37H2,1-2H3,(H2,41,42,43)/b14-12-,20-18-,26-24-/t38-/m1/s1 SMILES CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCC)COP(=O)(O)O MNX internals InChI (mnx) InChI=1/C39H73O7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-44-36-38(37-45-47(41,42)43)46-39(40)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24,26,38H,3-11,13,15-17,19,21-23,25,27-37H2,1-2H3,(H2,41,42,43)/b14-12-,20-18-,26-24-/t38-/m1/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][O:44][CH2:36][C@H:38]([CH2:37][O:45][P:47]([OH:41])([OH:42])=[O:43])[O:46][C:39]([CH2:34][CH2:32][CH2:30][CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:40]

Parent-child relations graph

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