hexadecanoate phytyl ester

Properties Image MNX_ID MNXM1129707 reference chebi:177022 formula C36H70O2 global charge 0 mol weight 534.954 InChIKey JDFCEOMVLWWUMP-LDIAVGPLSA-N InChI InChI=1S/C36H70O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-29-36(37)38-31-30-35(6)28-22-27-34(5)26-21-25-33(4)24-20-23-32(2)3/h30,32-34H,7-29,31H2,1-6H3/b35-30+/t33-,34-/m1/s1 SMILES CCCCCCCCCCCCCCCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C MNX internals InChI (mnx) InChI=1/C36H70O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-29-36(37)38-31-30-35(6)28-22-27-34(5)26-21-25-33(4)24-20-23-32(2)3/h30,32-34H,7-29,31H2,1-6H3/b35-30+/t33-,34-/m1/s1 SMILES (mnx) [CH3:1][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:29][C:36](=[O:37])[O:38][CH2:31]/[CH:30]=[C:35](\[CH3:6])[CH2:28][CH2:22][CH2:27][C@H:34]([CH3:5])[CH2:26][CH2:21][CH2:25][C@H:33]([CH3:4])[CH2:24][CH2:20][CH2:23][CH:32]([CH3:2])[CH3:3]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0