4alpha-carboxy-4beta,14alpha-dimethyl-9beta,19-cyclo-5alpha-ergost-24(24(1))-en-3beta-ol

Properties Image MNX_ID MNXM10245 reference chebi:142916 formula C31H49O3 global charge -1 mol weight 469.73 InChIKey RLRGKMMFFVWPHT-NUYPAGBLSA-M InChI InChI=1S/C31H50O3/c1-19(2)20(3)8-9-21(4)22-12-14-28(6)23-10-11-24-29(7,26(33)34)25(32)13-15-30(24)18-31(23,30)17-16-27(22,28)5/h19,21-25,32H,3,8-18H2,1-2,4-7H3,(H,33,34)/p-1/t21-,22-,23+,24+,25+,27-,28+,29+,30-,31+/m1/s1 SMILES C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(C(=O)[O-])[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C MNX internals InChI (mnx) InChI=1/C31H50O3/c1-19(2)20(3)8-9-21(4)22-12-14-28(6)23-10-11-24-29(7,26(33)34)25(32)13-15-30(24)18-31(23,30)17-16-27(22,28)5/h19,21-25,32H,3,8-18H2,1-2,4-7H3,(H,33,34)/t21-,22-,23+,24+,25+,27-,28+,29+,30-,31+/m1/s1 SMILES (mnx) [CH3:1][CH:19]([CH3:2])[C:20](=[CH2:3])[CH2:8][CH2:9][C@@H:21]([CH3:4])[C@H:22]1[CH2:12][CH2:14][C@@:28]2([CH3:6])[C@@H:23]3[CH2:10][CH2:11][C@H:24]4[C@:29]([CH3:7])([C:26](=[O:33])[OH:34])[C@@H:25]([OH:32])[CH2:13][CH2:15][C@@:30]45[CH2:18][C@@:31]35[CH2:17][CH2:16][C@:27]12[CH3:5]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 10 in models (compartimentalized) 2