Cer(d18:1(4E)/22:0(3OH))

Properties Image MNX_ID MNXM1131474 reference lipidmapsM:LMSP02010203 formula C40H79NO4 global charge 0 mol weight 638.075 InChIKey FYZBBQHALIJTMH-MTGQPPMKSA-N InChI InChI=1S/C40H79NO4/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-37(43)35-40(45)41-38(36-42)39(44)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h32,34,37-39,42-44H,3-31,33,35-36H2,1-2H3,(H,41,45)/b34-32+/t37-,38+,39-/m1/s1 SMILES CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)C[C@H](O)CCCCCCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C40H79NO4/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-37(43)35-40(45)41-38(36-42)39(44)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h32,34,37-39,42-44H,3-31,33,35-36H2,1-2H3,(H,41,45)/b34-32+/t37-,38+,39-/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][CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][C@H:37]([CH2:35][C:40](=[N:41][C@@H:38]([CH2:36][OH:42])[C@@H:39](/[CH:34]=[CH:32]/[CH2:30][CH2:28][CH2:26][CH2:24][CH2:21][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:44])[OH:45])[OH:43]

Parent-child relations graph

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