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CHEBI:46059 - TAGETITOXIN

Default Structure
ChEBI IDCHEBI:46059
ChEBI NameTAGETITOXIN
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC11H17N2O11PS
Net Charge0
Average Mass416.301
Monoisotopic Mass416.02907
SMILES[H]OC(=O)[C@]12O[C@]([H])([C@]([H])(OC(=O)C([H])([H])[H])[C@]([H])(N([H])[H])[C@@]1([H])OP(=O)(O[H])O[H])[C@](O[H])(C(=O)N([H])[H])SC2([H])[H]
InChIInChI=1S/C11H17N2O11PS/c1-3(14)22-5-4(12)6(24-25(19,20)21)10(9(16)17)2-26-11(18,8(13)15)7(5)23-10/h4-7,18H,2,12H2,1H3,(H2,13,15)(H,16,17)(H2,19,20,21)/t4-,5+,6+,7+,10+,11+/m0/s1
InChIKeyUVAAUIDYGIWLMB-HGNFPZBQSA-N
ChEBI Ontology
Outgoing Relation(s)
TAGETITOXIN (CHEBI:46059) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(1R,4R,5R,6R,7S,8R)-6-(acetyloxy)-7-amino-4-carbamoyl-4-hydroxy-8-(phosphonooxy)-9-oxa-3-thiabicyclo[3.3.1]nonane-1-carboxylic acid (non-preferred name)PDBeChem
TAGETITOXINPDBeChem
Manual XrefsDatabases
TGTPDBeChem