sesterstatin 3

Properties Image MNX_ID MNXM108805 reference chebi:66477 formula C25H38O4 global charge 0 mol weight 402.575 InChIKey BHUWRPVVYSATJU-PWBGEZQRSA-N InChI InChI=1S/C25H38O4/c1-22(14-26)9-5-10-23(2)16(22)8-11-24(3)17-7-6-15-13-29-21(28)20(15)25(17,4)19(27)12-18(23)24/h16-19,26-27H,5-14H2,1-4H3/t16-,17-,18+,19+,22-,23-,24-,25+/m0/s1 SMILES C[C@@]1(CO)CCC[C@]2(C)[C@H]3C[C@@H](O)[C@]4(C)C5=C(CC[C@H]4[C@]3(C)CC[C@@H]12)COC5=O MNX internals InChI (mnx) InChI=1/C25H38O4/c1-22(14-26)9-5-10-23(2)16(22)8-11-24(3)17-7-6-15-13-29-21(28)20(15)25(17,4)19(27)12-18(23)24/h16-19,26-27H,5-14H2,1-4H3/t16-,17-,18+,19+,22-,23-,24-,25+/m0/s1 SMILES (mnx) [CH3:1][C@@:22]1([CH2:14][OH:26])[CH2:9][CH2:5][CH2:10][C@@:23]2([CH3:2])[C@H:16]1[CH2:8][CH2:11][C@@:24]1([CH3:3])[C@@H:17]3[CH2:7][CH2:6][C:15]4=[C:20]([C:21](=[O:28])[O:29][CH2:13]4)[C@@:25]3([CH3:4])[C@H:19]([OH:27])[CH2:12][C@H:18]21

Parent-child relations graph

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