novamethymycin

Properties Image MNX_ID MNXM146299 reference chebi:77354 formula C25H44NO8 global charge 1 mol weight 486.626 InChIKey HYJMTIGQCJGKFQ-CGNAQTDSSA-O InChI InChI=1S/C25H43NO8/c1-13-11-14(2)21(33-24-20(29)18(26(7)8)12-15(3)32-24)16(4)23(30)34-22(17(5)27)25(6,31)10-9-19(13)28/h9-10,13-18,20-22,24,27,29,31H,11-12H2,1-8H3/p+1/b10-9+/t13-,14+,15-,16-,17-,18+,20-,21+,22-,24+,25+/m1/s1 SMILES C[C@@H]1C[C@H]([NH+](C)C)[C@@H](O)[C@H](O[C@H]2[C@@H](C)C[C@@H](C)C(=O)/C=C/[C@](C)(O)[C@@H]([C@@H](C)O)OC(=O)[C@@H]2C)O1 MNX internals InChI (mnx) InChI=1/C25H43NO8/c1-13-11-14(2)21(33-24-20(29)18(26(7)8)12-15(3)32-24)16(4)23(30)34-22(17(5)27)25(6,31)10-9-19(13)28/h9-10,13-18,20-22,24,27,29,31H,11-12H2,1-8H3/b10-9+/t13-,14+,15-,16-,17-,18+,20-,21+,22-,24+,25+/m1/s1 SMILES (mnx) [CH3:1][C@@H:13]1[CH2:11][C@H:14]([CH3:2])[C@H:21]([O:33][C@H:24]2[C@H:20]([OH:29])[C@@H:18]([N:26]([CH3:7])[CH3:8])[CH2:12][C@@H:15]([CH3:3])[O:32]2)[C@@H:16]([CH3:4])[C:23](=[O:30])[O:34][C@H:22]([C@@H:17]([CH3:5])[OH:27])[C@@:25]([CH3:6])([OH:31])/[CH:10]=[CH:9]/[C:19]1=[O:28]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 7 in models (compartimentalized) 0