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CHEBI:139998 - oscr#21(1−)

ChEBI IDCHEBI:139998
ChEBI Nameoscr#21(1−)
Stars
ASCII Nameoscr#21(1-)
DefinitionA hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#21, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified2 March 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC19H33O6
Net Charge-1
Average Mass357.467
Monoisotopic Mass357.22826
SMILESC[C@@H]1O[C@@H](OCCCCCCCCCC/C=C/C(=O)[O-])[C@H](O)C[C@H]1O
InChIInChI=1S/C19H34O6/c1-15-16(20)14-17(21)19(25-15)24-13-11-9-7-5-3-2-4-6-8-10-12-18(22)23/h10,12,15-17,19-21H,2-9,11,13-14H2,1H3,(H,22,23)/p-1/b12-10+/t15-,16+,17+,19+/m0/s1
InChIKeyDEQPIGLSNWHDFR-VATKAKJBSA-M
ChEBI Ontology
Outgoing Relation(s)
oscr#21(1−) (CHEBI:139998) is a hydroxy fatty acid ascaroside anion (CHEBI:140307)
oscr#21(1−) (CHEBI:139998) is conjugate base of oscr#21 (CHEBI:79143)
Incoming Relation(s)
oscr#21 (CHEBI:79143) is conjugate acid of oscr#21(1−) (CHEBI:139998)
IUPAC Name 
(2E)-13-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]tridec-2-enoate