1-O-palmitoyl-2-O-(epoxyisoprostanoyl)-sn-glycero-3-phosphocholine

Properties Image MNX_ID MNXM32947 reference chebi:60320 formula C44H77NO10P global charge 1 mol weight 811.071 InChIKey QLDAKUMQNLOERP-XHZZSHSUSA-O InChI InChI=1S/C44H76NO10P/c1-6-8-10-12-14-15-16-17-18-19-20-22-24-28-43(47)51-35-38(36-53-56(49,50)52-33-32-45(3,4)5)54-44(48)29-25-27-41-42(55-41)34-39-37(30-31-40(39)46)26-23-21-13-11-9-7-2/h21,23,30-31,34,37-38,41-42H,6-20,22,24-29,32-33,35-36H2,1-5H3/p+1/b23-21-,39-34+/t37-,38+,41+,42+/m0/s1 SMILES CCCCC/C=C\C[C@H]1C=CC(=O)/C1=C/[C@H]1O[C@@H]1CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C MNX internals InChI (mnx) InChI=1/C44H76NO10P/c1-6-8-10-12-14-15-16-17-18-19-20-22-24-28-43(47)51-35-38(36-53-56(49,50)52-33-32-45(3,4)5)54-44(48)29-25-27-41-42(55-41)34-39-37(30-31-40(39)46)26-23-21-13-11-9-7-2/h21,23,30-31,34,37-38,41-42H,6-20,22,24-29,32-33,35-36H2,1-5H3/b23-21-,39-34+/t37-,38+,41+,42+/m0/s1 SMILES (mnx) [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:22][CH2:24][CH2:28][C:43](=[O:47])[O:51][CH2:35][C@H:38]([CH2:36][O:53][P:56](=[O:49])([O-:50])[O:52][CH2:33][CH2:32][N+:45]([CH3:3])([CH3:4])[CH3:5])[O:54][C:44]([CH2:29][CH2:25][CH2:27][C@@H:41]1[C@@H:42](/[CH:34]=[C:39]2\[C@@H:37]([CH2:26]/[CH:23]=[CH:21]\[CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[CH:30]=[CH:31][C:40]2=[O:46])[O:55]1)=[O:48]

Parent-child relations graph

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