| Properties | Image |
MNX_ID | MNXM1101162 |
 |
reference | metacycM:5-METHYL-THF-GLU-N |
formula | C20H23N7O5* |
global charge | -1 |
mol weight | |
InChIKey | |
InChI | |
SMILES | [*]C(=O)CC[C@H](NC(=O)C1=CC=C(NC[C@H]2CNC3=C(C(=O)NC(N)=N3)N2C)C=C1)C(=O)[O-] |
MNX internals
InChI (mnx) | InChI=1/C21H27N7O5/c1-11(29)3-8-15(20(32)33)25-18(30)12-4-6-13(7-5-12)23-9-14-10-24-17-16(28(14)2)19(31)27-21(22)26-17/h4-7,14-15,23H,3,8-10H2,1-2H3,(H,25,30)(H,32,33)(H4,22,24,26,27,31)/t14-,15-/m0/s1/i1+1 |
 |
SMILES (mnx) | [13CH3:1][C:11]([CH2:3][CH2:8][C@@H:15]([C:20](=[O:32])[OH:33])[NH:25][C:18]([C:12]1=[CH:5][CH:7]=[C:13]([NH:23][CH2:9][C@H:14]2[CH2:10][NH:24][C:17]3=[C:16]([C:19]([OH:31])=[N:27][C:21](=[NH:22])[NH:26]3)[N:28]2[CH3:2])[CH:6]=[CH:4]1)=[O:30])=[O:29] |
|