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CHEBI:140013 - oscr#26(1−)

ChEBI IDCHEBI:140013
ChEBI Nameoscr#26(1−)
Stars
ASCII Nameoscr#26(1-)
DefinitionA hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#26, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified2 March 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC21H39O6
Net Charge-1
Average Mass387.537
Monoisotopic Mass387.27521
SMILESC[C@@H]1O[C@@H](OCCCCCCCCCCCCCCC(=O)[O-])[C@H](O)C[C@H]1O
InChIInChI=1S/C21H40O6/c1-17-18(22)16-19(23)21(27-17)26-15-13-11-9-7-5-3-2-4-6-8-10-12-14-20(24)25/h17-19,21-23H,2-16H2,1H3,(H,24,25)/p-1/t17-,18+,19+,21+/m0/s1
InChIKeyPWLVZSHZFIGCNL-QEUVDIPISA-M
ChEBI Ontology
Outgoing Relation(s)
oscr#26(1−) (CHEBI:140013) is a hydroxy fatty acid ascaroside anion (CHEBI:140307)
oscr#26(1−) (CHEBI:140013) is conjugate base of oscr#26 (CHEBI:79148)
Incoming Relation(s)
oscr#26 (CHEBI:79148) is conjugate acid of oscr#26(1−) (CHEBI:140013)
IUPAC Name 
15-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]pentadecanoate