Cer(t18:1(6OH)/27:0(2OH))

Properties Image MNX_ID MNXM1131452 reference lipidmapsM:LMSP02010180 formula C45H89NO5 global charge 0 mol weight 724.209 InChIKey UHPGVICVJJQLJH-GQPQHBRQSA-N InChI InChI=1S/C45H89NO5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-44(50)45(51)46-42(40-47)43(49)39-38-41(48)36-34-32-30-28-14-12-10-8-6-4-2/h38-39,41-44,47-50H,3-37,40H2,1-2H3,(H,46,51)/b39-38+/t41-,42+,43-,44?/m1/s1 SMILES CCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO)[C@H](O)/C=C/[C@H](O)CCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C45H89NO5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-44(50)45(51)46-42(40-47)43(49)39-38-41(48)36-34-32-30-28-14-12-10-8-6-4-2/h38-39,41-44,47-50H,3-37,40H2,1-2H3,(H,46,51)/b39-38+/t41-,42+,43-,44?/m1/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH:44]([C:45](=[N:46][C@@H:42]([CH2:40][OH:47])[C@@H:43](/[CH:39]=[CH:38]/[C@@H:41]([CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:48])[OH:49])[OH:51])[OH:50]

Parent-child relations graph

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