Cer(d18:1(4E)/16:0(3OH))

Properties Image MNX_ID MNXM1131471 reference lipidmapsM:LMSP02010200 formula C34H67NO4 global charge 0 mol weight 553.913 InChIKey OXJZWMWDKDJHAT-HVKGALTPSA-N InChI InChI=1S/C34H67NO4/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-33(38)32(30-36)35-34(39)29-31(37)27-25-23-21-19-17-14-12-10-8-6-4-2/h26,28,31-33,36-38H,3-25,27,29-30H2,1-2H3,(H,35,39)/b28-26+/t31-,32+,33-/m1/s1 SMILES CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)C[C@H](O)CCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C34H67NO4/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-33(38)32(30-36)35-34(39)29-31(37)27-25-23-21-19-17-14-12-10-8-6-4-2/h26,28,31-33,36-38H,3-25,27,29-30H2,1-2H3,(H,35,39)/b28-26+/t31-,32+,33-/m1/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:16][CH2:18][CH2:20][CH2:22][CH2:24]/[CH:26]=[CH:28]/[C@H:33]([C@H:32]([CH2:30][OH:36])[N:35]=[C:34]([CH2:29][C@@H:31]([CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:37])[OH:39])[OH:38]

Parent-child relations graph

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