sangivamycin

Properties Image MNX_ID MNXM21691 reference chebi:85997 formula C12H15N5O5 global charge 0 mol weight 309.282 InChIKey OBZJZDHRXBKKTJ-JTFADIMSSA-N InChI InChI=1S/C12H15N5O5/c13-9-6-4(10(14)21)1-17(11(6)16-3-15-9)12-8(20)7(19)5(2-18)22-12/h1,3,5,7-8,12,18-20H,2H2,(H2,14,21)(H2,13,15,16)/t5-,7-,8-,12-/m1/s1 SMILES NC(=O)C1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=NC=NC(N)=C12 MNX internals InChI (mnx) InChI=1/C12H15N5O5/c13-9-6-4(10(14)21)1-17(11(6)16-3-15-9)12-8(20)7(19)5(2-18)22-12/h1,3,5,7-8,12,18-20H,2H2,(H2,14,21)(H2,13,15,16)/t5-,7-,8-,12-/m1/s1 SMILES (mnx) [CH:1]1=[C:4]([C:10](=[NH:14])[OH:21])[C:6]2=[C:11]([N:16]=[CH:3][N:15]=[C:9]2[NH2:13])[N:17]1[C@H:12]1[C@H:8]([OH:20])[C@H:7]([OH:19])[C@@H:5]([CH2:2][OH:18])[O:22]1

Parent-child relations graph

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