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CHEBI:139964 - oscr#1(1−)

ChEBI IDCHEBI:139964
ChEBI Nameoscr#1(1−)
Stars
ASCII Nameoscr#1(1-)
DefinitionA hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#1, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified2 March 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC13H23O6
Net Charge-1
Average Mass275.321
Monoisotopic Mass275.15001
SMILESC[C@@H]1O[C@@H](OCCCCCCC(=O)[O-])[C@H](O)C[C@H]1O
InChIInChI=1S/C13H24O6/c1-9-10(14)8-11(15)13(19-9)18-7-5-3-2-4-6-12(16)17/h9-11,13-15H,2-8H2,1H3,(H,16,17)/p-1/t9-,10+,11+,13+/m0/s1
InChIKeyXHPJAFLLEKUEFS-SBFPOUOMSA-M
ChEBI Ontology
Outgoing Relation(s)
oscr#1(1−) (CHEBI:139964) is a hydroxy fatty acid ascaroside anion (CHEBI:140307)
oscr#1(1−) (CHEBI:139964) is conjugate base of oscr#1 (CHEBI:79130)
Incoming Relation(s)
oscr#1 (CHEBI:79130) is conjugate acid of oscr#1(1−) (CHEBI:139964)
IUPAC Name 
7-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]heptanoate