11-hydroxytigecycline
Chemical Formula:
C29H40N5O9
Molecular Weight:
602.663 Daltons
Monoisotopic Mass:
603.2904279410001 Daltons
SMILES:
CC(C)(C)[N+]CC(=O)NC3(=C(O)C2(C(=O)C1(O)(C(=O)C4(O)([CH](C[CH]1CC=2C(N(C)C)=C3)C([N+](C)C)C([O-])=C(C(N)=O)C(=O)4))))
InChI:
1S/C29H39N5O9/c1-27(2,3)31-11-17(35)32-15-10-16(33(4)5)13-8-12-9-14-20(34(6)7)22(37)19(25(30)40)24(39)29(14,43)26(41)28(12,42)23(38)18(13)21(15)36/h10,12,14,20,31,36-37,42-43H,8-9,11H2,1-7H3,(H2,30,40)(H,32,35)/p+1/t12-,14-,20-,28-,29+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-19261
PubChem (CID):
122706448
MetaNetX:
MNXM165517
ChEBI:
142709