Cer(d18:1(4E)/25:0(3OH))

Properties Image MNX_ID MNXM1131486 reference lipidmapsM:LMSP02010215 formula C43H85NO4 global charge 0 mol weight 680.156 InChIKey RVHWDGVDOMFLBT-YICUCDGJSA-N InChI InChI=1S/C43H85NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-30-32-34-36-40(46)38-43(48)44-41(39-45)42(47)37-35-33-31-29-27-24-16-14-12-10-8-6-4-2/h35,37,40-42,45-47H,3-34,36,38-39H2,1-2H3,(H,44,48)/b37-35+/t40-,41+,42-/m1/s1 SMILES CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)C[C@H](O)CCCCCCCCCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C43H85NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-30-32-34-36-40(46)38-43(48)44-41(39-45)42(47)37-35-33-31-29-27-24-16-14-12-10-8-6-4-2/h35,37,40-42,45-47H,3-34,36,38-39H2,1-2H3,(H,44,48)/b37-35+/t40-,41+,42-/m1/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:25][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C@H:40]([CH2:38][C:43](=[N:44][C@@H:41]([CH2:39][OH:45])[C@@H:42](/[CH:37]=[CH:35]/[CH2:33][CH2:31][CH2:29][CH2:27][CH2:24][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:47])[OH:48])[OH:46]

Parent-child relations graph

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