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CHEBI:139990 - oscr#19(1−)

ChEBI IDCHEBI:139990
ChEBI Nameoscr#19(1−)
Stars
ASCII Nameoscr#19(1-)
DefinitionA hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#19, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified2 March 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC18H31O6
Net Charge-1
Average Mass343.440
Monoisotopic Mass343.21261
SMILESC[C@@H]1O[C@@H](OCCCCCCCCC/C=C/C(=O)[O-])[C@H](O)C[C@H]1O
InChIInChI=1S/C18H32O6/c1-14-15(19)13-16(20)18(24-14)23-12-10-8-6-4-2-3-5-7-9-11-17(21)22/h9,11,14-16,18-20H,2-8,10,12-13H2,1H3,(H,21,22)/p-1/b11-9+/t14-,15+,16+,18+/m0/s1
InChIKeyCBFGNQUTSUMTTO-XIWSQWRSSA-M
ChEBI Ontology
Outgoing Relation(s)
oscr#19(1−) (CHEBI:139990) is a hydroxy fatty acid ascaroside anion (CHEBI:140307)
oscr#19(1−) (CHEBI:139990) is conjugate base of oscr#19 (CHEBI:79141)
Incoming Relation(s)
oscr#19 (CHEBI:79141) is conjugate acid of oscr#19(1−) (CHEBI:139990)
IUPAC Name 
(2E)-12-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]dodec-2-enoate