3alpha-Hydroxy-5beta,14beta-chol-8-en-24-oic Acid

Properties Image MNX_ID MNXM28909 reference lipidmapsM:LMST04010319 formula C24H38O3 global charge 0 mol weight 374.565 InChIKey JBGPYYPQEKGCOJ-OYPZIYCASA-N InChI InChI=1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-17,19-20,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,19-,20-,23+,24-/m1/s1 SMILES C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1CC3 MNX internals InChI (mnx) InChI=1/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-17,19-20,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,19-,20-,23+,24-/m1/s1 SMILES (mnx) [CH3:1][C@H:15]([CH2:4][CH2:9][C:22](=[O:26])[OH:27])[C@H:19]1[CH2:7][CH2:8][C@@H:20]2[C:18]3=[C:21]([CH2:11][CH2:13][C@:24]12[CH3:3])[C@@:23]1([CH3:2])[CH2:12][CH2:10][C@@H:17]([OH:25])[CH2:14][C@H:16]1[CH2:5][CH2:6]3

Parent-child relations graph

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