ent-8-epi-15-D2c-IsoP

Properties Image MNX_ID MNXM52189 reference lipidmapsM:LMFA03110128 formula C20H32O5 global charge 0 mol weight 352.471 InChIKey BHMBVRSPMRCCGG-OBHBYKKGSA-N InChI InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17-,18-/m1/s1 SMILES CCCCC[C@@H](O)/C=C/[C@H]1C(=O)C[C@@H](O)[C@@H]1C/C=C\CCCC(=O)O MNX internals InChI (mnx) InChI=1/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17-,18-/m1/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:6][CH2:9][C@H:15](/[CH:12]=[CH:13]/[C@@H:17]1[C@@H:16]([CH2:10]/[CH:7]=[CH:4]\[CH2:5][CH2:8][CH2:11][C:20](=[O:24])[OH:25])[C@H:18]([OH:22])[CH2:14][C:19]1=[O:23])[OH:21]

Parent-child relations graph

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