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CHEBI:140044 - oscr#36(1−)

ChEBI IDCHEBI:140044
ChEBI Nameoscr#36(1−)
Stars
ASCII Nameoscr#36(1-)
DefinitionA hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#36, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified2 March 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC26H49O6
Net Charge-1
Average Mass457.672
Monoisotopic Mass457.35346
SMILESC[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCCCCC(=O)[O-])[C@H](O)C[C@H]1O
InChIInChI=1S/C26H50O6/c1-22-23(27)21-24(28)26(32-22)31-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-25(29)30/h22-24,26-28H,2-21H2,1H3,(H,29,30)/p-1/t22-,23+,24+,26+/m0/s1
InChIKeyNALXHMIWEUPQCH-POMLREGLSA-M
ChEBI Ontology
Outgoing Relation(s)
oscr#36(1−) (CHEBI:140044) is a hydroxy fatty acid ascaroside anion (CHEBI:140307)
oscr#36(1−) (CHEBI:140044) is conjugate base of oscr#36 (CHEBI:79158)
Incoming Relation(s)
oscr#36 (CHEBI:79158) is conjugate acid of oscr#36(1−) (CHEBI:140044)
IUPAC Name 
20-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]icosanoate