CHEBI:139964 - oscr#1(1−)

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ChEBI Name oscr#1(1−)
ChEBI ID CHEBI:139964
ChEBI ASCII Name oscr#1(1-)
Definition A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#1, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Michael Witting
Supplier Information eMolecules:1360357, ZINC000000538471
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Formula C13H23O6
Net Charge -1
Average Mass 275.319
Monoisotopic Mass 275.15001
InChI InChI=1S/C13H24O6/c1-9-10(14)8-11(15)13(19-9)18-7-5-3-2-4-6-12(16)17/h9-11,13-15H,2-8H2,1H3,(H,16,17)/p-1/t9-,10+,11+,13+/m0/s1
InChIKey XHPJAFLLEKUEFS-SBFPOUOMSA-M
SMILES [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCC(=O)[O-]
ChEBI Ontology
Outgoing oscr#1(1−) (CHEBI:139964) is a hydroxy fatty acid ascaroside anion (CHEBI:140307)
oscr#1(1−) (CHEBI:139964) is conjugate base of oscr#1 (CHEBI:79130)
Incoming oscr#1 (CHEBI:79130) is conjugate acid of oscr#1(1−) (CHEBI:139964)
IUPAC Name
7-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]heptanoate
Last Modified
02 March 2018