**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

Gemigliptin metabolite519_1

Properties Image MNX_ID MNXM1594601 reference vmhM:gemim519_1 vmhM:gemim519_1 formula C18H17F8N5O4 global charge 0 mol weight 519.349 InChIKey NEEQKMKZCYWFBQ-CYQMCQFNSA-N InChI InChI=1S/C18H17F8N5O4/c19-16(20)3-1-10(32)31(15(16)35)13(34)8(27)5-11(33)30-4-2-7-9(6-30)28-14(18(24,25)26)29-12(7)17(21,22)23/h8,15,35H,1-6,27H2/t8-,15?/m0/s1 SMILES N[C@@H](CC(=O)N1CCc2c(nc(C(F)(F)F)nc2C(F)(F)F)C1)C(=O)N1C(=O)CCC(F)(F)C1O MNX internals InChI (mnx) InChI=1/C18H17F8N5O4/c19-16(20)3-1-10(32)31(15(16)35)13(34)8(27)5-11(33)30-4-2-7-9(6-30)28-14(18(24,25)26)29-12(7)17(21,22)23/h8,15,35H,1-6,27H2/t8-,15?/m0/s1 SMILES (mnx) [CH2:1]1[CH2:3][C:16]([F:19])([F:20])[CH:15]([OH:35])[N:31]([C:13]([C@H:8]([CH2:5][C:11]([N:30]2[CH2:4][CH2:2][c:7]3[c:9]([n:28][c:14]([C:18]([F:24])([F:25])[F:26])[n:29][c:12]3[C:17]([F:21])([F:22])[F:23])[CH2:6]2)=[O:33])[NH2:27])=[O:34])[C:10]1=[O:32]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
vmhM:gemim519_1 vmhM:gemim519_1 vmhmetabolite:gemim519_1 vmhmetabolite:gemim519_1 NEEQKMKZCYWFBQ-CYQMCQFNSA-N	Gemigliptin metabolite519_1
vmhM:M_gemim519_1	secondary/obsolete/fantasy identifier