5beta-Chol-9(11)-en-24-oic Acid

Properties Image MNX_ID MNXM27036 reference lipidmapsM:LMST04010142 formula C24H38O2 global charge 0 mol weight 358.566 InChIKey FHWJRVFVJIUARH-JTRWTHHWSA-N InChI InChI=1S/C24H38O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h13,16-20H,4-12,14-15H2,1-3H3,(H,25,26)/t16-,17+,18+,19-,20+,23+,24-/m1/s1 SMILES C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)C3=CC[C@]12C MNX internals InChI (mnx) InChI=1/C24H38O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h13,16-20H,4-12,14-15H2,1-3H3,(H,25,26)/t16-,17+,18+,19-,20+,23+,24-/m1/s1 SMILES (mnx) [CH3:1][C@H:16]([CH2:7][CH2:12][C:22](=[O:25])[OH:26])[C@H:19]1[CH2:10][CH2:11][C@H:20]2[C@@H:18]3[CH2:9][CH2:8][C@@H:17]4[CH2:6][CH2:4][CH2:5][CH2:14][C@:23]4([CH3:2])[C:21]3=[CH:13][CH2:15][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