tigecycline
Chemical Formula:
C29H40N5O8
Molecular Weight:
586.664 Daltons
Monoisotopic Mass:
587.2955133189 Daltons
SMILES:
CC(C)(C)[N+]CC(=O)NC3(=C(O)C2(C(=O)C1(=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/C29H39N5O8/c1-28(2,3)31-11-17(35)32-15-10-16(33(4)5)13-8-12-9-14-21(34(6)7)24(38)20(27(30)41)26(40)29(14,42)25(39)18(12)23(37)19(13)22(15)36/h10,12,14,21,31,36,38-39,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35)/p+1/t12-,14-,21-,29-/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-19260
PubChem (CID):
122706065
Seed:
cpd08806
HMDB:
HMDB14700
MetaNetX:
MNXM87222
KEGG:
C12012