novapikromycin

Properties Image MNX_ID MNXM146300 reference chebi:77351 formula C28H48NO9 global charge 1 mol weight 542.69 InChIKey JGNNRPWTNULSRW-BLNRMBNUSA-O InChI InChI=1S/C28H47NO9/c1-14-12-15(2)24(37-27-23(33)20(29(8)9)13-16(3)36-27)17(4)22(32)18(5)26(34)38-25(19(6)30)28(7,35)11-10-21(14)31/h10-11,14-20,23-25,27,30,33,35H,12-13H2,1-9H3/p+1/b11-10+/t14-,15+,16-,17+,18-,19-,20+,23-,24+,25-,27+,28+/m1/s1 SMILES C[C@H]1C(=O)O[C@H]([C@@H](C)O)[C@@](C)(O)/C=C/C(=O)[C@H](C)C[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@H](C)C1=O MNX internals InChI (mnx) InChI=1/C28H47NO9/c1-14-12-15(2)24(37-27-23(33)20(29(8)9)13-16(3)36-27)17(4)22(32)18(5)26(34)38-25(19(6)30)28(7,35)11-10-21(14)31/h10-11,14-20,23-25,27,30,33,35H,12-13H2,1-9H3/b11-10+/t14-,15+,16-,17+,18-,19-,20+,23-,24+,25-,27+,28+/m1/s1 SMILES (mnx) [CH3:1][C@@H:14]1[CH2:12][C@H:15]([CH3:2])[C@H:24]([O:37][C@H:27]2[C@H:23]([OH:33])[C@@H:20]([N:29]([CH3:8])[CH3:9])[CH2:13][C@@H:16]([CH3:3])[O:36]2)[C@@H:17]([CH3:4])[C:22](=[O:32])[C@@H:18]([CH3:5])[C:26](=[O:34])[O:38][C@H:25]([C@@H:19]([CH3:6])[OH:30])[C@@:28]([CH3:7])([OH:35])/[CH:11]=[CH:10]/[C:21]1=[O:31]

Parent-child relations graph

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