Cer(t18:1(6OH)/18:0(2OH))

Properties Image MNX_ID MNXM1131462 reference lipidmapsM:LMSP02010191 formula C36H71NO5 global charge 0 mol weight 597.966 InChIKey LQERUXADCDOTFB-BAISLKRJSA-N InChI InChI=1S/C36H71NO5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-35(41)36(42)37-33(31-38)34(40)30-29-32(39)27-25-23-21-19-14-12-10-8-6-4-2/h29-30,32-35,38-41H,3-28,31H2,1-2H3,(H,37,42)/b30-29+/t32-,33+,34-,35?/m1/s1 SMILES CCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO)[C@H](O)/C=C/[C@H](O)CCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C36H71NO5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-35(41)36(42)37-33(31-38)34(40)30-29-32(39)27-25-23-21-19-14-12-10-8-6-4-2/h29-30,32-35,38-41H,3-28,31H2,1-2H3,(H,37,42)/b30-29+/t32-,33+,34-,35?/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][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH:35]([C:36](=[N:37][C@@H:33]([CH2:31][OH:38])[C@@H:34](/[CH:30]=[CH:29]/[C@@H:32]([CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:39])[OH:40])[OH:42])[OH:41]

Parent-child relations graph

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