(22E)-1alpha,3beta-Dihydroxychola-5,16,22-trien-24-oic Acid

Properties Image MNX_ID MNXM24261 reference chebi:173185 formula C24H34O4 global charge 0 mol weight 386.532 InChIKey QKMUYLAFPCTBBC-GYMAPVEQSA-N InChI InChI=1S/C24H34O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)13-21(26)24(15,3)20(17)10-11-23(18,19)2/h4-5,7,9,14,16-17,19-21,25-26H,6,8,10-13H2,1-3H3,(H,27,28)/b9-4+/t14-,16-,17+,19+,20+,21+,23-,24+/m1/s1 SMILES C[C@H](/C=C/C(=O)O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C MNX internals InChI (mnx) InChI=1/C24H34O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)13-21(26)24(15,3)20(17)10-11-23(18,19)2/h4-5,7,9,14,16-17,19-21,25-26H,6,8,10-13H2,1-3H3,(H,27,28)/b9-4+/t14-,16-,17+,19+,20+,21+,23-,24+/m1/s1 SMILES (mnx) [CH3:1][C@H:14](/[CH:4]=[CH:9]/[C:22](=[O:27])[OH:28])[C:18]1=[CH:7][CH2:8][C@H:19]2[C@@H:17]3[CH2:6][CH:5]=[C:15]4[CH2:12][C@@H:16]([OH:25])[CH2:13][C@H:21]([OH:26])[C@:24]4([CH3:3])[C@H:20]3[CH2:10][CH2:11][C@:23]12[CH3:2]

Parent-child relations graph

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