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CHEBI:143706 - deoxycylindrospermopsin zwitterion

ChEBI IDCHEBI:143706
ChEBI Namedeoxycylindrospermopsin zwitterion
Stars
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H21N5O6S
Net Charge0
Average Mass399.429
Monoisotopic Mass399.12125
SMILES[H][C@]1(Cc2cc(=O)nc(=O)n2)C[C@@]2([H])C[C@H](OS(=O)(=O)[O-])[C@H](C)[C@@]3([H])CNC(=[N+]23)N1
InChIInChI=1S/C15H21N5O6S/c1-7-11-6-16-14-17-8(2-9-4-13(21)19-15(22)18-9)3-10(20(11)14)5-12(7)26-27(23,24)25/h4,7-8,10-12H,2-3,5-6H2,1H3,(H4,16,17,18,19,21,22,23,24,25)/t7-,8+,10+,11-,12+/m1/s1
InChIKeyUAKZERPIIKNQHK-GATYQTQLSA-N
ChEBI Ontology
Outgoing Relation(s)
deoxycylindrospermopsin zwitterion (CHEBI:143706) is a zwitterion (CHEBI:27369)
deoxycylindrospermopsin zwitterion (CHEBI:143706) is tautomer of deoxycylindrospermopsin (CHEBI:88050)
Incoming Relation(s)
deoxycylindrospermopsin (CHEBI:88050) is tautomer of deoxycylindrospermopsin zwitterion (CHEBI:143706)
UniProt Name  Source
7-deoxycylindrospermopsinUniProt
Manual XrefsDatabases
CPD-22143MetaCyc
Citations