CerPE(d16:1(4E)/22:0(2OH))

Properties Image MNX_ID MNXM159453 reference lipidmapsM:LMSP03020084 formula C40H81N2O7P global charge 0 mol weight 733.069 InChIKey AUOLQJJLRSEXRP-RXLKFOMTSA-N InChI InChI=1S/C40H81N2O7P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-33-39(44)40(45)42-37(36-49-50(46,47)48-35-34-41)38(43)32-30-28-26-24-22-14-12-10-8-6-4-2/h30,32,37-39,43-44H,3-29,31,33-36,41H2,1-2H3,(H,42,45)(H,46,47)/b32-30+/t37-,38+,39?/m0/s1 SMILES CCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)OCCN)NC(=O)C(O)CCCCCCCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C40H81N2O7P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-33-39(44)40(45)42-37(36-49-50(46,47)48-35-34-41)38(43)32-30-28-26-24-22-14-12-10-8-6-4-2/h30,32,37-39,43-44H,3-29,31,33-36,41H2,1-2H3,(H,42,45)(H,46,47)/b32-30+/t37-,38+,39?/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][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH:39]([C:40](=[N:42][C@@H:37]([CH2:36][O:49][P:50]([OH:46])(=[O:47])[O:48][CH2:35][CH2:34][NH2:41])[C@@H:38](/[CH:32]=[CH:30]/[CH2:28][CH2:26][CH2:24][CH2:22][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:43])[OH:45])[OH:44]

Parent-child relations graph

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