Cer(t18:1(6OH)/26:0(2OH))

Properties Image MNX_ID MNXM1131451 reference lipidmapsM:LMSP02010179 formula C44H87NO5 global charge 0 mol weight 710.182 InChIKey DXBVMKRDWGCKCM-ZVPYVXFLSA-N InChI InChI=1S/C44H87NO5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-43(49)44(50)45-41(39-46)42(48)38-37-40(47)35-33-31-29-27-14-12-10-8-6-4-2/h37-38,40-43,46-49H,3-36,39H2,1-2H3,(H,45,50)/b38-37+/t40-,41+,42-,43?/m1/s1 SMILES CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO)[C@H](O)/C=C/[C@H](O)CCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C44H87NO5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-43(49)44(50)45-41(39-46)42(48)38-37-40(47)35-33-31-29-27-14-12-10-8-6-4-2/h37-38,40-43,46-49H,3-36,39H2,1-2H3,(H,45,50)/b38-37+/t40-,41+,42-,43?/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][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH:43]([C:44](=[N:45][C@@H:41]([CH2:39][OH:46])[C@@H:42](/[CH:38]=[CH:37]/[C@@H:40]([CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:47])[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