(7E,22E)-(3S,6S)-6-hydroperoxy-9,10-seco-4,7,10(19),22-ergostatetraen-3-ol

Properties Image MNX_ID MNXM26636 reference lipidmapsM:LMST03010039 formula C28H44O3 global charge 0 mol weight 428.657 InChIKey FIEIGNNJOJBZPX-LKRSWHNUSA-N InChI InChI=1S/C28H44O3/c1-18(2)19(3)9-10-21(5)25-13-14-26-22(8-7-15-28(25,26)6)16-27(31-30)24-17-23(29)12-11-20(24)4/h9-10,16-19,21,23,25-27,29-30H,4,7-8,11-15H2,1-3,5-6H3/b10-9+,22-16+/t19-,21+,23-,25+,26-,27-,28+/m0/s1 SMILES C=C1CC[C@H](O)C=C1[C@H](/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]12)OO MNX internals InChI (mnx) InChI=1/C28H44O3/c1-18(2)19(3)9-10-21(5)25-13-14-26-22(8-7-15-28(25,26)6)16-27(31-30)24-17-23(29)12-11-20(24)4/h9-10,16-19,21,23,25-27,29-30H,4,7-8,11-15H2,1-3,5-6H3/b10-9+,22-16+/t19-,21+,23-,25+,26-,27-,28+/m0/s1 SMILES (mnx) [CH3:1][CH:18]([CH3:2])[C@@H:19]([CH3:3])/[CH:9]=[CH:10]/[C@@H:21]([CH3:5])[C@H:25]1[CH2:13][CH2:14][C@H:26]2/[C:22](=[CH:16]/[C@@H:27]([C:24]3=[CH:17][C@@H:23]([OH:29])[CH2:12][CH2:11][C:20]3=[CH2:4])[O:31][OH:30])[CH2:8][CH2:7][CH2:15][C@:28]12[CH3:6]

Parent-child relations graph

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