1,3-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-1,3-diol

Properties Image MNX_ID MNXM32267 reference chebi:34057 formula C41H71NO4 global charge 0 mol weight 642.022 InChIKey XGMYKLVNSJNGSZ-AUYXYSRISA-N InChI InChI=1S/C41H71NO4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40(43)45-37-38(3)39(36-42)46-41(44)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,39H,3-17,22-35,37H2,1-2H3/b20-18-,21-19- SMILES C=C(COC(=O)CCCCCCC/C=C\CCCCCCCC)C(C#N)OC(=O)CCCCCCC/C=C\CCCCCCCC MNX internals InChI (mnx) InChI=1/C41H71NO4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40(43)45-37-38(3)39(36-42)46-41(44)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,39H,3-17,22-35,37H2,1-2H3/b20-18-,21-19-/t39? SMILES (mnx) [CH3:1][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16]/[CH:18]=[CH:20]\[CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][C:40](=[O:43])[O:45][CH2:37][C:38](=[CH2:3])[CH:39]([C:36]#[N:42])[O:46][C:41]([CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23]/[CH:21]=[CH:19]\[CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])=[O:44]

Parent-child relations graph

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