Cer(d18:2/27:0(2OH))

Properties Image MNX_ID MNXM1131510 reference lipidmapsM:LMSP02020066 formula C45H87NO4 global charge 0 mol weight 706.194 InChIKey RMRPWIKLLWFMET-LGPBGMBWSA-N InChI InChI=1S/C45H87NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-44(49)45(50)46-42(41-47)43(48)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h8,10,37,39,42-44,47-49H,3-7,9,11-36,38,40-41H2,1-2H3,(H,46,50)/b10-8-,39-37+/t42-,43+,44?/m0/s1 SMILES CCC/C=C\CCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)C(O)CCCCCCCCCCCCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C45H87NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-44(49)45(50)46-42(41-47)43(48)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h8,10,37,39,42-44,47-49H,3-7,9,11-36,38,40-41H2,1-2H3,(H,46,50)/b10-8-,39-37+/t42-,43+,44?/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][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH:44]([C:45](=[N:46][C@@H:42]([CH2:41][OH:47])[C@@H:43](/[CH:39]=[CH:37]/[CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:16][CH2:14][CH2:12]/[CH:10]=[CH:8]\[CH2:6][CH2:4][CH3:2])[OH:48])[OH:50])[OH:49]

Parent-child relations graph

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