5alpha-ergost-22E-en-3alpha,12alpha,16alpha-triol

Properties Image MNX_ID MNXM26334 reference chebi:186651 formula C28H48O3 global charge 0 mol weight 432.689 InChIKey NJXFGFILMQEWFG-IIUCPLJKSA-N InChI InChI=1S/C28H48O3/c1-16(2)17(3)7-8-18(4)26-24(30)14-23-21-10-9-19-13-20(29)11-12-27(19,5)22(21)15-25(31)28(23,26)6/h7-8,16-26,29-31H,9-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,21+,22-,23-,24+,25-,26-,27-,28+/m0/s1 SMILES CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C MNX internals InChI (mnx) InChI=1/C28H48O3/c1-16(2)17(3)7-8-18(4)26-24(30)14-23-21-10-9-19-13-20(29)11-12-27(19,5)22(21)15-25(31)28(23,26)6/h7-8,16-26,29-31H,9-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,21+,22-,23-,24+,25-,26-,27-,28+/m0/s1 SMILES (mnx) [CH3:1][CH:16]([CH3:2])[C@@H:17]([CH3:3])/[CH:7]=[CH:8]/[C@@H:18]([CH3:4])[C@H:26]1[C@H:24]([OH:30])[CH2:14][C@H:23]2[C@@H:21]3[CH2:10][CH2:9][C@H:19]4[CH2:13][C@H:20]([OH:29])[CH2:11][CH2:12][C@:27]4([CH3:5])[C@H:22]3[CH2:15][C@H:25]([OH:31])[C@@:28]21[CH3:6]

Parent-child relations graph

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