3alpha,7alpha,12beta-Trihydroxy-5beta-chol-9(11)-en-24-oic Acid

Properties Image MNX_ID MNXM23266 reference lipidmapsM:LMST04010403 formula C24H38O5 global charge 0 mol weight 406.563 InChIKey MLERECQLXZEBRY-DVOCEFGKSA-N InChI InChI=1S/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h12-17,19-20,22,25-27H,4-11H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,19-,20-,22+,23+,24-/m1/s1 SMILES C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3C(=C[C@@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O MNX internals InChI (mnx) InChI=1/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h12-17,19-20,22,25-27H,4-11H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,19-,20-,22+,23+,24-/m1/s1 SMILES (mnx) [CH3:1][C@H:13]([CH2:4][CH2:7][C:21](=[O:28])[OH:29])[C@H:16]1[CH2:5][CH2:6][C@H:17]2[C@H:22]3[C:18](=[CH:12][C@@H:20]([OH:27])[C@:24]12[CH3:3])[C@@:23]1([CH3:2])[CH2:9][CH2:8][C@@H:15]([OH:25])[CH2:10][C@H:14]1[CH2:11][C@H:19]3[OH:26]

Parent-child relations graph

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