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CHEBI:45689 - 1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-D-ARABINITOL INNER SALT

Default Structure
ChEBI IDCHEBI:45689
ChEBI Name1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-D-ARABINITOL INNER SALT
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC9H18O9S2
Net Charge-2
Average Mass334.368
Monoisotopic Mass334.04032
SMILES[H]OC([H])([H])[C@]([H])(O[S@TB6]([O-])([O-])[O-])[C@]([H])(O[H])C([H])([H])[S@+]1C([H])([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])C([H])([H])O[H]
InChIInChI=1S/C9H20O9S2/c10-1-7(18-20(15,16)17)5(12)3-19-4-6(13)9(14)8(19)2-11/h5-14H,1-4H2,(H2-,15,16,17)/p-2/t5-,6-,7+,8-,9+,19-/m1/s1
InChIKeyNYHLFUZUGSMDBR-YRPOCYRVSA-L
ChEBI Ontology
Outgoing Relation(s)
1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-D-ARABINITOL INNER SALT (CHEBI:45689) is a unclassifieds (CHEBI:27189)
Synonyms  Source
1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-D-ARABINITOL INNER SALTPDBeChem
({[(1S,2S)-3-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-2-hydroxy-1-(hydroxymethyl)propyl]oxy}-lambda~4~-sulfanetriyl)trioxidanide (non-preferred name)PDBeChem
Manual XrefsDatabases
SSOPDBeChem