Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-17 20:23:03 UTC
Update Date2022-12-15 22:52:22 UTC
Metabolite IDMMDBc0056334
Metabolite Identification
Common Nametigecycline
Description
Structure
SynonymsNot Available
Molecular FormulaC29H40N5O8
Average Mass586.665
Monoisotopic Mass586.287139688
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
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
InChI KeyFPZLLRFZJZRHSY-HJYUBDRYSA-O