Cer(d14:2(4E,6E)/22:1(13Z)(2OH))

Properties Image MNX_ID MNXM153309 reference lipidmapsM:LMSP02010079 formula C36H67NO4 global charge 0 mol weight 577.935 InChIKey ZXQRJRUZQFLTJC-FTXQQGTRSA-N InChI InChI=1S/C36H67NO4/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-29-31-35(40)36(41)37-33(32-38)34(39)30-28-26-24-22-12-10-8-6-4-2/h15-16,24,26,28,30,33-35,38-40H,3-14,17-23,25,27,29,31-32H2,1-2H3,(H,37,41)/b16-15-,26-24+,30-28+/t33-,34+,35?/m0/s1 SMILES CCCCCCC/C=C/C=C/[C@@H](O)[C@H](CO)NC(=O)C(O)CCCCCCCCCC/C=C\CCCCCCCC MNX internals InChI (mnx) InChI=1/C36H67NO4/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-29-31-35(40)36(41)37-33(32-38)34(39)30-28-26-24-22-12-10-8-6-4-2/h15-16,24,26,28,30,33-35,38-40H,3-14,17-23,25,27,29,31-32H2,1-2H3,(H,37,41)/b16-15-,26-24+,30-28+/t33-,34+,35?/m0/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:14]/[CH:15]=[CH:16]\[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH:35]([C:36](=[N:37][C@@H:33]([CH2:32][OH:38])[C@@H:34](/[CH:30]=[CH:28]/[CH:26]=[CH:24]/[CH2:22][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:39])[OH:41])[OH:40]

Parent-child relations graph

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