3beta-Hydroxy-7-oxochol-5-en-24-oyl-glycine

Properties Image MNX_ID MNXM1132105 reference lipidmapsM:LMST05030018 formula C26H39NO5 global charge 0 mol weight 445.6 InChIKey AXBXXYALPXTOOI-UBKHJBOVSA-N InChI InChI=1S/C26H39NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h13,15,17-20,24,28H,4-12,14H2,1-3H3,(H,27,30)(H,31,32)/t15-,17+,18-,19+,20+,24+,25+,26-/m1/s1 SMILES C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C MNX internals InChI (mnx) InChI=1/C26H39NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h13,15,17-20,24,28H,4-12,14H2,1-3H3,(H,27,30)(H,31,32)/t15-,17+,18-,19+,20+,24+,25+,26-/m1/s1 SMILES (mnx) [CH3:1][C@H:15]([CH2:4][CH2:7][C:22](=[N:27][CH2:14][C:23](=[O:31])[OH:32])[OH:30])[C@H:18]1[CH2:5][CH2:6][C@H:19]2[C@H:24]3[C@H:20]([CH2:9][CH2:11][C@:26]12[CH3:3])[C@@:25]1([CH3:2])[CH2:10][CH2:8][C@H:17]([OH:28])[CH2:12][C:16]1=[CH:13][C:21]3=[O:29]

Parent-child relations graph

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