N-(stearoyl)-(4E,8Z)-sphinga-4,8-dienine

Properties Image MNX_ID MNXM31182 reference metacycM:CPD-8428 formula C36H69NO3 global charge 0 mol weight 563.952 InChIKey WNPWDGNHTKGEDS-VZDSUTIGSA-N InChI InChI=1S/C36H69NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h21,23,29,31,34-35,38-39H,3-20,22,24-28,30,32-33H2,1-2H3,(H,37,40)/b23-21-,31-29+/t34-,35+/m0/s1 SMILES CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C36H69NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h21,23,29,31,34-35,38-39H,3-20,22,24-28,30,32-33H2,1-2H3,(H,37,40)/b23-21-,31-29+/t34-,35+/m0/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][C:36](=[N:37][C@@H:34]([CH2:33][OH:38])[C@@H:35](/[CH:31]=[CH:29]/[CH2:27][CH2:25]/[CH:23]=[CH:21]\[CH2:19][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:39])[OH:40]

Parent-child relations graph

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