CerPE(d15:1(4E)/22:0(2OH))

Properties Image MNX_ID MNXM159433 reference lipidmapsM:LMSP03020075 formula C39H79N2O7P global charge 0 mol weight 719.042 InChIKey TZNNTMYXUOOIGE-VTAPXIELSA-N InChI InChI=1S/C39H79N2O7P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-38(43)39(44)41-36(35-48-49(45,46)47-34-33-40)37(42)31-29-27-25-23-14-12-10-8-6-4-2/h29,31,36-38,42-43H,3-28,30,32-35,40H2,1-2H3,(H,41,44)(H,45,46)/b31-29+/t36-,37+,38?/m0/s1 SMILES CCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)OCCN)NC(=O)C(O)CCCCCCCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C39H79N2O7P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-38(43)39(44)41-36(35-48-49(45,46)47-34-33-40)37(42)31-29-27-25-23-14-12-10-8-6-4-2/h29,31,36-38,42-43H,3-28,30,32-35,40H2,1-2H3,(H,41,44)(H,45,46)/b31-29+/t36-,37+,38?/m0/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH:38]([C:39](=[N:41][C@@H:36]([CH2:35][O:48][P:49]([OH:45])(=[O:46])[O:47][CH2:34][CH2:33][NH2:40])[C@@H:37](/[CH:31]=[CH:29]/[CH2:27][CH2:25][CH2:23][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:42])[OH:44])[OH:43]

Parent-child relations graph

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