(5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene

Properties Image MNX_ID MNXM36416 reference chebi:137139 formula C27H44 global charge 0 mol weight 368.649 InChIKey FXKMDILIEQILCA-VDVRBEGSSA-N InChI InChI=1S/C27H44/c1-20(2)10-8-12-22(4)25-17-18-26-24(14-9-19-27(25,26)5)16-15-23-13-7-6-11-21(23)3/h15-16,20,22,25-26H,3,6-14,17-19H2,1-2,4-5H3/b23-15-,24-16+/t22-,25-,26+,27-/m1/s1 SMILES C=C1CCCC/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]12 MNX internals InChI (mnx) InChI=1/C27H44/c1-20(2)10-8-12-22(4)25-17-18-26-24(14-9-19-27(25,26)5)16-15-23-13-7-6-11-21(23)3/h15-16,20,22,25-26H,3,6-14,17-19H2,1-2,4-5H3/b23-15-,24-16+/t22-,25-,26+,27-/m1/s1 SMILES (mnx) [CH3:1][CH:20]([CH3:2])[CH2:10][CH2:8][CH2:12][C@@H:22]([CH3:4])[C@H:25]1[CH2:17][CH2:18][C@H:26]2/[C:24](=[CH:16]/[CH:15]=[C:23]3/[CH2:13][CH2:7][CH2:6][CH2:11][C:21]3=[CH2:3])[CH2:14][CH2:9][CH2:19][C@:27]12[CH3:5]

Parent-child relations graph

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