neopikromycin

Properties Image MNX_ID MNXM146298 reference chebi:77350 formula C28H48NO8 global charge 1 mol weight 526.691 InChIKey SXXXXTQMWPXIES-VJNSTPMQSA-O InChI InChI=1S/C28H47NO8/c1-14-10-11-22(31)15(2)12-16(3)25(37-28-24(33)21(29(8)9)13-17(4)35-28)18(5)23(32)19(6)27(34)36-26(14)20(7)30/h10-11,14-21,24-26,28,30,33H,12-13H2,1-9H3/p+1/b11-10+/t14-,15-,16+,17-,18+,19-,20-,21+,24-,25+,26+,28+/m1/s1 SMILES C[C@H]1C(=O)O[C@H]([C@@H](C)O)[C@H](C)/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/C28H47NO8/c1-14-10-11-22(31)15(2)12-16(3)25(37-28-24(33)21(29(8)9)13-17(4)35-28)18(5)23(32)19(6)27(34)36-26(14)20(7)30/h10-11,14-21,24-26,28,30,33H,12-13H2,1-9H3/b11-10+/t14-,15-,16+,17-,18+,19-,20-,21+,24-,25+,26+,28+/m1/s1 SMILES (mnx) [CH3:1][C@@H:14]1/[CH:10]=[CH:11]/[C:22](=[O:31])[C@H:15]([CH3:2])[CH2:12][C@H:16]([CH3:3])[C@H:25]([O:37][C@H:28]2[C@H:24]([OH:33])[C@@H:21]([N:29]([CH3:8])[CH3:9])[CH2:13][C@@H:17]([CH3:4])[O:35]2)[C@@H:18]([CH3:5])[C:23](=[O:32])[C@@H:19]([CH3:6])[C:27](=[O:34])[O:36][C@@H:26]1[C@@H:20]([CH3:7])[OH:30]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 0