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CHEBI:142709 - 11a-hydroxytigecycline(1+)

ChEBI IDCHEBI:142709
ChEBI Name11a-hydroxytigecycline(1+)
Stars
DefinitionMajor species at pH 7.3
SubmitterAnne Morgat
DownloadsMolfile
FormulaC29H40N5O9
Net Charge+1
Average Mass602.665
Monoisotopic Mass602.28205
SMILES[H][C@@]12Cc3c(N(C)C)cc(NC(=O)C[NH2+]C(C)(C)C)c(O)c3C(=O)[C@]1(O)C(=O)[C@]1(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@]1([H])C2
InChIInChI=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
InChIKeyRKNGHEJZSVXSDR-GAABGNNBSA-O
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
11a-hydroxytigecycline(1+) (CHEBI:142709) has functional parent tigecycline (CHEBI:149836)
11a-hydroxytigecycline(1+) (CHEBI:142709) is a tetracyclines (CHEBI:26895)
UniProt Name  Source
11a-hydroxytigecyclineUniProt
Manual XrefsDatabases
CPD-19261MetaCyc
Citations