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CHEBI:139968 - oscr#12(1−)

ChEBI IDCHEBI:139968
ChEBI Nameoscr#12(1−)
Stars
ASCII Nameoscr#12(1-)
DefinitionA hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#12, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified15 March 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC12H21O6
Net Charge-1
Average Mass261.294
Monoisotopic Mass261.13436
SMILESC[C@@H]1O[C@@H](OCCCCCC(=O)[O-])[C@H](O)C[C@H]1O
InChIInChI=1S/C12H22O6/c1-8-9(13)7-10(14)12(18-8)17-6-4-2-3-5-11(15)16/h8-10,12-14H,2-7H2,1H3,(H,15,16)/p-1/t8-,9+,10+,12+/m0/s1
InChIKeyOEQPWGGFCAQFGJ-BTQIBKBOSA-M
ChEBI Ontology
Outgoing Relation(s)
oscr#12(1−) (CHEBI:139968) is a hydroxy fatty acid ascaroside anion (CHEBI:140307)
oscr#12(1−) (CHEBI:139968) is conjugate base of oscr#12 (CHEBI:79135)
Incoming Relation(s)
oscr#12 (CHEBI:79135) is conjugate acid of oscr#12(1−) (CHEBI:139968)
IUPAC Name 
6-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]hexanoate