Cer(d18:0/h26:0)

Properties Image MNX_ID MNXM93246 reference lipidmapsM:LMSP02020018 formula C44H89NO4 global charge 0 mol weight 696.199 InChIKey XZMFWWLYDZUCKQ-WZYYJWNZSA-N InChI InChI=1S/C44H89NO4/c1-2-3-4-5-6-7-8-20-23-26-29-32-35-38-43(48)42(41-47)45-44(49)39-36-33-30-27-24-21-18-16-14-12-10-9-11-13-15-17-19-22-25-28-31-34-37-40-46/h42-43,46-48H,2-41H2,1H3,(H,45,49)/t42-,43+/m0/s1 SMILES CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCO MNX internals InChI (mnx) InChI=1/C44H89NO4/c1-2-3-4-5-6-7-8-20-23-26-29-32-35-38-43(48)42(41-47)45-44(49)39-36-33-30-27-24-21-18-16-14-12-10-9-11-13-15-17-19-22-25-28-31-34-37-40-46/h42-43,46-48H,2-41H2,1H3,(H,45,49)/t42-,43+/m0/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:20][CH2:23][CH2:26][CH2:29][CH2:32][CH2:35][CH2:38][C@H:43]([C@H:42]([CH2:41][OH:47])[N:45]=[C:44]([CH2:39][CH2:36][CH2:33][CH2:30][CH2:27][CH2:24][CH2:21][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:22][CH2:25][CH2:28][CH2:31][CH2:34][CH2:37][CH2:40][OH:46])[OH:49])[OH:48]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0