CHEBI:88044 - cylindrospermopsin zwitterion

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ChEBI Name cylindrospermopsin zwitterion ChEBI ID CHEBI:88044 Definition A zwitterion resulting from the transfer of a proton from the sulfooxy group to one of the nitrogens of the guanidine group of cylindrospermopsin. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C15H21N5O7S Net Charge 0 Average Mass 415.423 Monoisotopic Mass 415.11617 InChI InChI=1S/C15H21N5O7S/c1-6-10-5-16-14-17-8(13(22)9-4-12(21)19-15(23)18-9)2-7(20(10)14)3-11(6)27-28(24,25)26/h4,6-8,10-11,13,22H,2-3,5H2,1H3,(H,16,17)(H,24,25,26)(H2,18,19,21,23)/t6-,7+,8-,10-,11+,13-/m1/s1 InChIKey LHJPHMKIGRLKDR-VDPNAHCISA-N SMILES [C@@]12(C[C@@H]([C@@H]([C@@]3(N1C(N[C@](C2)([C@H](C4=CC(NC(N4)=O)=O)O)[H])=[NH+]C3)[H])C)OS([O-])(=O)=O)[H] Roles Classification Biological Role(s): cyanotoxin Any toxin produced by cyanobacteria (blue-green algae). View more via ChEBI Ontology ChEBI Ontology Outgoing cylindrospermopsin zwitterion (CHEBI:88044) has role cyanotoxin (CHEBI:88048) cylindrospermopsin zwitterion (CHEBI:88044) is a zwitterion (CHEBI:27369) cylindrospermopsin zwitterion (CHEBI:88044) is tautomer of cylindrospermopsin (CHEBI:88046) Incoming cylindrospermopsin (CHEBI:88046) is tautomer of cylindrospermopsin zwitterion (CHEBI:88044) IUPAC Name (2aS,3R,4S,5aS,7R)-7-[(R)-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)(hydroxy)methyl]-3-methyl-2,2a,3,4,5,5a,6,7-octahydro-1H-8,8b-diaza-1-azoniaacenaphthylen-4-yl sulfate Synonym Source cylindrospermopsin UniProt Manual Xref Database Cylindrospermopsin Wikipedia View more database links Last Modified 17 September 2019