a 3beta-hydroxysteroid-4alpha-carboxylate

Properties Image MNX_ID MNXM102297 reference chebi:136966 formula C20H30O3* global charge -1 mol weight   InChIKey   InChI   SMILES [*]C1CCC2C3CCC4[C@H](C(=O)[O-])[C@@H](O)CCC4(C)C3CCC12C MNX internals InChI (mnx) InChI=1/C21H34O3/c1-12-4-6-14-13-5-7-16-18(19(23)24)17(22)9-11-21(16,3)15(13)8-10-20(12,14)2/h12-18,22H,4-11H2,1-3H3,(H,23,24)/t12?,13?,14?,15?,16?,17-,18-,20?,21?/m0/s1/i1+1 SMILES (mnx) [13CH3:1][CH:12]1[CH2:4][CH2:6][CH:14]2[CH:13]3[CH2:5][CH2:7][CH:16]4[C@H:18]([C:19](=[O:23])[OH:24])[C@@H:17]([OH:22])[CH2:9][CH2:11][C:21]4([CH3:3])[CH:15]3[CH2:8][CH2:10][C:20]12[CH3:2]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 2