6-amino-6-deoxyfutalosine

Properties Image MNX_ID MNXM41844 reference chebi:64286 formula C19H18N5O6 global charge -1 mol weight 412.382 InChIKey JSTYUEOJPRFLHR-SCFUHWHPSA-M InChI InChI=1S/C19H19N5O6/c20-16-13-17(22-7-21-16)24(8-23-13)18-15(27)14(26)12(30-18)5-4-11(25)9-2-1-3-10(6-9)19(28)29/h1-3,6-8,12,14-15,18,26-27H,4-5H2,(H,28,29)(H2,20,21,22)/p-1/t12-,14-,15-,18-/m1/s1 SMILES NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CCC(=O)C2=CC(C(=O)[O-])=CC=C2)[C@@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C19H19N5O6/c20-16-13-17(22-7-21-16)24(8-23-13)18-15(27)14(26)12(30-18)5-4-11(25)9-2-1-3-10(6-9)19(28)29/h1-3,6-8,12,14-15,18,26-27H,4-5H2,(H,28,29)(H2,20,21,22)/t12-,14-,15-,18-/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][C:9]([C:11]([CH2:4][CH2:5][C@@H:12]2[C@@H:14]([OH:26])[C@@H:15]([OH:27])[C@H:18]([N:24]3[CH:8]=[N:23][C:13]4=[C:16]([NH2:20])[N:21]=[CH:7][N:22]=[C:17]43)[O:30]2)=[O:25])=[CH:6][C:10]([C:19](=[O:28])[OH:29])=[CH:3]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 3