Cer(d18:1(4E)/26:0(2OH))

Properties Image MNX_ID MNXM1131436 reference lipidmapsM:LMSP02010163 formula C44H87NO4 global charge 0 mol weight 694.183 InChIKey GPDLYLZQDLYUMP-BIGGLABRSA-N InChI InChI=1S/C44H87NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-43(48)44(49)45-41(40-46)42(47)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2/h36,38,41-43,46-48H,3-35,37,39-40H2,1-2H3,(H,45,49)/b38-36+/t41-,42+,43?/m0/s1 SMILES CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)C(O)CCCCCCCCCCCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C44H87NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-43(48)44(49)45-41(40-46)42(47)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2/h36,38,41-43,46-48H,3-35,37,39-40H2,1-2H3,(H,45,49)/b38-36+/t41-,42+,43?/m0/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][CH2:24][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH:43]([C:44](=[N:45][C@@H:41]([CH2:40][OH:46])[C@@H:42](/[CH:38]=[CH:36]/[CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:47])[OH:49])[OH:48]

Parent-child relations graph

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