GlcCer(t20:1(11Z)/23:1(17E)(2OH[S],16OH))

Properties Image MNX_ID MNXM1131767 reference lipidmapsM:LMSP05010141 formula C49H93NO11 global charge 0 mol weight 872.279 InChIKey JKXQFBJFWHUSCL-IEURZVMYSA-N InChI InChI=1S/C49H93NO11/c1-3-5-7-9-10-11-12-13-14-17-20-23-27-31-35-41(53)44(55)40(38-60-49-47(58)46(57)45(56)43(37-51)61-49)50-48(59)42(54)36-32-28-24-21-18-15-16-19-22-26-30-34-39(52)33-29-25-8-6-4-2/h13-14,29,33,39-47,49,51-58H,3-12,15-28,30-32,34-38H2,1-2H3,(H,50,59)/b14-13-,33-29+/t39?,40-,41+,42-,43+,44-,45+,46-,47+,49+/m0/s1 SMILES CCCCC/C=C/C(O)CCCCCCCCCCCCC[C@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCC/C=C\CCCCCCCC MNX internals InChI (mnx) InChI=1/C49H93NO11/c1-3-5-7-9-10-11-12-13-14-17-20-23-27-31-35-41(53)44(55)40(38-60-49-47(58)46(57)45(56)43(37-51)61-49)50-48(59)42(54)36-32-28-24-21-18-15-16-19-22-26-30-34-39(52)33-29-25-8-6-4-2/h13-14,29,33,39-47,49,51-58H,3-12,15-28,30-32,34-38H2,1-2H3,(H,50,59)/b14-13-,33-29+/t39?,40-,41+,42-,43+,44-,45+,46-,47+,49+/m0/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:10][CH2:11][CH2:12]/[CH:13]=[CH:14]\[CH2:17][CH2:20][CH2:23][CH2:27][CH2:31][CH2:35][C@H:41]([C@H:44]([C@H:40]([CH2:38][O:60][C@H:49]1[C@H:47]([OH:58])[C@@H:46]([OH:57])[C@H:45]([OH:56])[C@@H:43]([CH2:37][OH:51])[O:61]1)[N:50]=[C:48]([C@H:42]([CH2:36][CH2:32][CH2:28][CH2:24][CH2:21][CH2:18][CH2:15][CH2:16][CH2:19][CH2:22][CH2:26][CH2:30][CH2:34][CH:39](/[CH:33]=[CH:29]/[CH2:25][CH2:8][CH2:6][CH2:4][CH3:2])[OH:52])[OH:54])[OH:59])[OH:55])[OH:53]

Parent-child relations graph

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