CerPE(d14:2(4E,6E)/22:0(2OH))

Properties Image MNX_ID MNXM159421 reference lipidmapsM:LMSP03020070 formula C38H75N2O7P global charge 0 mol weight 702.999 InChIKey MINOCZVEEWELBS-DSTXAWFGSA-N InChI InChI=1S/C38H75N2O7P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-29-31-37(42)38(43)40-35(34-47-48(44,45)46-33-32-39)36(41)30-28-26-24-22-12-10-8-6-4-2/h24,26,28,30,35-37,41-42H,3-23,25,27,29,31-34,39H2,1-2H3,(H,40,43)(H,44,45)/b26-24+,30-28+/t35-,36+,37?/m0/s1 SMILES CCCCCCC/C=C/C=C/[C@@H](O)[C@H](COP(=O)(O)OCCN)NC(=O)C(O)CCCCCCCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C38H75N2O7P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-29-31-37(42)38(43)40-35(34-47-48(44,45)46-33-32-39)36(41)30-28-26-24-22-12-10-8-6-4-2/h24,26,28,30,35-37,41-42H,3-23,25,27,29,31-34,39H2,1-2H3,(H,40,43)(H,44,45)/b26-24+,30-28+/t35-,36+,37?/m0/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH:37]([C:38](=[N:40][C@@H:35]([CH2:34][O:47][P:48]([OH:44])(=[O:45])[O:46][CH2:33][CH2:32][NH2:39])[C@@H:36](/[CH:30]=[CH:28]/[CH:26]=[CH:24]/[CH2:22][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:41])[OH:43])[OH:42]

Parent-child relations graph

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