Esuberaprost (USAN/INN)

Properties Image MNX_ID MNXM103044 reference keggD:D10628 formula C24H30O5 global charge 0 mol weight 398.499 InChIKey CTPOHARTNNSRSR-NOQAJONNSA-N InChI InChI=1S/C24H30O5/c1-3-4-7-15(2)19(25)13-12-17-20(26)14-21-23(17)18-10-5-8-16(24(18)29-21)9-6-11-22(27)28/h5,8,10,12-13,15,17,19-21,23,25-26H,6-7,9,11,14H2,1-2H3,(H,27,28)/b13-12+/t15-,17-,19+,20+,21-,23-/m0/s1 SMILES CC#CC[C@H](C)[C@H](O)/C=C/[C@@H]1[C@H]2C3=C(O[C@H]2C[C@H]1O)C(CCCC(=O)O)=CC=C3 MNX internals InChI (mnx) InChI=1/C24H30O5/c1-3-4-7-15(2)19(25)13-12-17-20(26)14-21-23(17)18-10-5-8-16(24(18)29-21)9-6-11-22(27)28/h5,8,10,12-13,15,17,19-21,23,25-26H,6-7,9,11,14H2,1-2H3,(H,27,28)/b13-12+/t15-,17-,19+,20+,21-,23-/m0/s1 SMILES (mnx) [CH3:1][C:3]#[C:4][CH2:7][C@H:15]([CH3:2])[C@@H:19](/[CH:13]=[CH:12]/[C@H:17]1[C@H:20]([OH:26])[CH2:14][C@H:21]2[C@@H:23]1[C:18]1=[CH:10][CH:5]=[CH:8][C:16]([CH2:9][CH2:6][CH2:11][C:22](=[O:27])[OH:28])=[C:24]1[O:29]2)[OH:25]

Parent-child relations graph

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