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CHEBI:139972 - oscr#13(1−)

ChEBI IDCHEBI:139972
ChEBI Nameoscr#13(1−)
Stars
ASCII Nameoscr#13(1-)
DefinitionA hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#13, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified2 March 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC14H23O6
Net Charge-1
Average Mass287.332
Monoisotopic Mass287.15001
SMILESC[C@@H]1O[C@@H](OCCCCC/C=C/C(=O)[O-])[C@H](O)C[C@H]1O
InChIInChI=1S/C14H24O6/c1-10-11(15)9-12(16)14(20-10)19-8-6-4-2-3-5-7-13(17)18/h5,7,10-12,14-16H,2-4,6,8-9H2,1H3,(H,17,18)/p-1/b7-5+/t10-,11+,12+,14+/m0/s1
InChIKeyJAEJLIJYAKFZFG-YZSAPEPWSA-M
ChEBI Ontology
Outgoing Relation(s)
oscr#13(1−) (CHEBI:139972) is a hydroxy fatty acid ascaroside anion (CHEBI:140307)
oscr#13(1−) (CHEBI:139972) is conjugate base of oscr#13 (CHEBI:139971)
Incoming Relation(s)
oscr#13 (CHEBI:139971) is conjugate acid of oscr#13(1−) (CHEBI:139972)
IUPAC Name 
(2E)-8-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]oct-2-enoate