2,12alpha-Dihydroxy-3-oxo-5beta-chol-1-en-24-oic Acid

Properties Image MNX_ID MNXM26739 reference lipidmapsM:LMST04010435 formula C24H36O5 global charge 0 mol weight 404.547 InChIKey HSEDXBCEZQLCGZ-DOKBDBQISA-N InChI InChI=1S/C24H36O5/c1-13(4-9-22(28)29)16-7-8-17-15-6-5-14-10-19(25)20(26)12-23(14,2)18(15)11-21(27)24(16,17)3/h12-18,21,26-27H,4-11H2,1-3H3,(H,28,29)/t13-,14-,15+,16-,17+,18+,21+,23+,24-/m1/s1 SMILES C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)C(O)=C[C@]4(C)[C@H]3C[C@H](O)[C@]12C MNX internals InChI (mnx) InChI=1/C24H36O5/c1-13(4-9-22(28)29)16-7-8-17-15-6-5-14-10-19(25)20(26)12-23(14,2)18(15)11-21(27)24(16,17)3/h12-18,21,26-27H,4-11H2,1-3H3,(H,28,29)/t13-,14-,15+,16-,17+,18+,21+,23+,24-/m1/s1 SMILES (mnx) [CH3:1][C@H:13]([CH2:4][CH2:9][C:22](=[O:28])[OH:29])[C@H:16]1[CH2:7][CH2:8][C@H:17]2[C@@H:15]3[CH2:6][CH2:5][C@@H:14]4[CH2:10][C:19](=[O:25])[C:20]([OH:26])=[CH:12][C@:23]4([CH3:2])[C@H:18]3[CH2:11][C@H:21]([OH:27])[C@:24]12[CH3:3]

Parent-child relations graph

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