homoavicholic acid

Properties Image MNX_ID MNXM156571 reference chebi:178019 formula C25H42O5 global charge 0 mol weight 422.606 InChIKey NKSUISQSQREBOX-UKYLPQCDSA-N InChI InChI=1S/C25H42O5/c1-14(5-4-6-21(29)30)23-20(28)13-18-22-17(8-10-25(18,23)3)24(2)9-7-16(26)11-15(24)12-19(22)27/h14-20,22-23,26-28H,4-13H2,1-3H3,(H,29,30)/t14-,15+,16-,17+,18+,19-,20-,22-,23+,24+,25+/m1/s1 SMILES C[C@H](CCCC(=O)O)[C@H]1[C@H](O)C[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C MNX internals InChI (mnx) InChI=1/C25H42O5/c1-14(5-4-6-21(29)30)23-20(28)13-18-22-17(8-10-25(18,23)3)24(2)9-7-16(26)11-15(24)12-19(22)27/h14-20,22-23,26-28H,4-13H2,1-3H3,(H,29,30)/t14-,15+,16-,17+,18+,19-,20-,22-,23+,24+,25+/m1/s1 SMILES (mnx) [CH3:1][C@H:14]([CH2:5][CH2:4][CH2:6][C:21](=[O:29])[OH:30])[C@H:23]1[C@H:20]([OH:28])[CH2:13][C@H:18]2[C@H:22]3[C@H:17]([CH2:8][CH2:10][C@@:25]21[CH3:3])[C@@:24]1([CH3:2])[CH2:9][CH2:7][C@@H:16]([OH:26])[CH2:11][C@H:15]1[CH2:12][C@H:19]3[OH:27]

Parent-child relations graph

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