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

Gemigliptin metabolite519_2

Properties Image MNX_ID MNXM1594602 reference vmhM:gemim519_2 vmhM:gemim519_2 formula C18H18F8N5O4 global charge 1 mol weight 520.357 InChIKey MMWDILATJVLXEC-JAMJFVKNSA-O 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/h2,4,8,13,15,34-35H,1,3,5-6,27H2/p+1/t8-,13?,15?/m0/s1 SMILES [NH3+][C@@H](CC(=O)N1C=Cc2c(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/h2,4,8,13,15,34-35H,1,3,5-6,27H2/t8-,13?,15?/m0/s1 SMILES (mnx) [CH2:1]1[CH2:3][C:16]([F:19])([F:20])[CH:15]([OH:35])[N:31]([CH:13]([C@H:8]([CH2:5][C:11]([N:30]2[CH:4]=[CH: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])[OH: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_2 vmhM:gemim519_2 vmhmetabolite:gemim519_2 vmhmetabolite:gemim519_2 MMWDILATJVLXEC-JAMJFVKNSA-O	Gemigliptin metabolite519_2
vmhM:M_gemim519_2	secondary/obsolete/fantasy identifier