schizokinen

Properties Image MNX_ID MNXM12888 reference chebi:84582 formula C16H28N4O9 global charge 0 mol weight 420.419 InChIKey YILWWVUXGMGOAM-UHFFFAOYSA-N InChI InChI=1S/C16H28N4O9/c1-11(21)19(28)7-3-5-17-13(23)9-16(27,15(25)26)10-14(24)18-6-4-8-20(29)12(2)22/h27-29H,3-10H2,1-2H3,(H,17,23)(H,18,24)(H,25,26) SMILES CC(=O)N(O)CCCNC(=O)CC(O)(CC(=O)NCCCN(O)C(C)=O)C(=O)O MNX internals InChI (mnx) InChI=1/C16H28N4O9/c1-11(21)19(28)7-3-5-17-13(23)9-16(27,15(25)26)10-14(24)18-6-4-8-20(29)12(2)22/h27-29H,3-10H2,1-2H3,(H,17,23)(H,18,24)(H,25,26) SMILES (mnx) [CH3:1][C:11]([N:19]([CH2:7][CH2:3][CH2:5][N:17]=[C:13]([CH2:9][C:16]([CH2:10][C:14](=[N:18][CH2:6][CH2:4][CH2:8][N:20]([C:12]([CH3:2])=[O:22])[OH:29])[OH:24])([C:15](=[O:25])[OH:26])[OH:27])[OH:23])[OH:28])=[O:21]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0