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CHEBI:140026 - oscr#30(1−)

ChEBI IDCHEBI:140026
ChEBI Nameoscr#30(1−)
Stars
ASCII Nameoscr#30(1-)
DefinitionA hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#30, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified2 March 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC23H43O6
Net Charge-1
Average Mass415.591
Monoisotopic Mass415.30651
SMILESC[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCC(=O)[O-])[C@H](O)C[C@H]1O
InChIInChI=1S/C23H44O6/c1-19-20(24)18-21(25)23(29-19)28-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-22(26)27/h19-21,23-25H,2-18H2,1H3,(H,26,27)/p-1/t19-,20+,21+,23+/m0/s1
InChIKeyCESZWWHNRSDDNY-ZZLPTCMGSA-M
ChEBI Ontology
Outgoing Relation(s)
oscr#30(1−) (CHEBI:140026) is a hydroxy fatty acid ascaroside anion (CHEBI:140307)
oscr#30(1−) (CHEBI:140026) is conjugate base of oscr#30 (CHEBI:79152)
Incoming Relation(s)
oscr#30 (CHEBI:79152) is conjugate acid of oscr#30(1−) (CHEBI:140026)
IUPAC Name 
17-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]heptadecanoate