Cer(t18:1(6OH)/28:0(28OH))

Properties Image MNX_ID MNXM1131520 reference lipidmapsM:LMSP02030048 formula C46H91NO5 global charge 0 mol weight 738.236 InChIKey FWVOAVCKJQXTMR-KLDIEGGHSA-N InChI InChI=1S/C46H91NO5/c1-2-3-4-5-6-7-25-28-31-34-37-43(50)39-40-45(51)44(42-49)47-46(52)38-35-32-29-26-23-21-19-17-15-13-11-9-8-10-12-14-16-18-20-22-24-27-30-33-36-41-48/h39-40,43-45,48-51H,2-38,41-42H2,1H3,(H,47,52)/b40-39+/t43-,44+,45-/m1/s1 SMILES CCCCCCCCCCCC[C@@H](O)/C=C/[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCO MNX internals InChI (mnx) InChI=1/C46H91NO5/c1-2-3-4-5-6-7-25-28-31-34-37-43(50)39-40-45(51)44(42-49)47-46(52)38-35-32-29-26-23-21-19-17-15-13-11-9-8-10-12-14-16-18-20-22-24-27-30-33-36-41-48/h39-40,43-45,48-51H,2-38,41-42H2,1H3,(H,47,52)/b40-39+/t43-,44+,45-/m1/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:25][CH2:28][CH2:31][CH2:34][CH2:37][C@H:43](/[CH:39]=[CH:40]/[C@H:45]([C@H:44]([CH2:42][OH:49])[N:47]=[C:46]([CH2:38][CH2:35][CH2:32][CH2:29][CH2:26][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][CH2:27][CH2:30][CH2:33][CH2:36][CH2:41][OH:48])[OH:52])[OH:51])[OH:50]

Parent-child relations graph

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