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CHEBI:140029 - oscr#31(1−)

ChEBI IDCHEBI:140029
ChEBI Nameoscr#31(1−)
Stars
ASCII Nameoscr#31(1-)
DefinitionA hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#31, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified2 March 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC24H43O6
Net Charge-1
Average Mass427.602
Monoisotopic Mass427.30651
SMILESC[C@@H]1O[C@@H](OCCCCCCCCCCCCCCC/C=C/C(=O)[O-])[C@H](O)C[C@H]1O
InChIInChI=1S/C24H44O6/c1-20-21(25)19-22(26)24(30-20)29-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-23(27)28/h15,17,20-22,24-26H,2-14,16,18-19H2,1H3,(H,27,28)/p-1/b17-15+/t20-,21+,22+,24+/m0/s1
InChIKeyVXOVWFJOWNESCS-PGYXGQNHSA-M
ChEBI Ontology
Outgoing Relation(s)
oscr#31(1−) (CHEBI:140029) is a hydroxy fatty acid ascaroside anion (CHEBI:140307)
oscr#31(1−) (CHEBI:140029) is conjugate base of oscr#31 (CHEBI:79153)
Incoming Relation(s)
oscr#31 (CHEBI:79153) is conjugate acid of oscr#31(1−) (CHEBI:140029)
IUPAC Name 
(2E)-18-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]octadec-2-enoate