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CHEBI:140047 - oscr#37(1−)

ChEBI IDCHEBI:140047
ChEBI Nameoscr#37(1−)
Stars
ASCII Nameoscr#37(1-)
DefinitionA hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#37, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified2 March 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC27H49O6
Net Charge-1
Average Mass469.683
Monoisotopic Mass469.35346
SMILESC[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCCC/C=C/C(=O)[O-])[C@H](O)C[C@H]1O
InChIInChI=1S/C27H50O6/c1-23-24(28)22-25(29)27(33-23)32-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-26(30)31/h18,20,23-25,27-29H,2-17,19,21-22H2,1H3,(H,30,31)/p-1/b20-18+/t23-,24+,25+,27+/m0/s1
InChIKeyYMUPCHCSOKFFDA-SFLGVXOSSA-M
ChEBI Ontology
Outgoing Relation(s)
oscr#37(1−) (CHEBI:140047) is a hydroxy fatty acid ascaroside anion (CHEBI:140307)
oscr#37(1−) (CHEBI:140047) is conjugate base of oscr#37 (CHEBI:79159)
Incoming Relation(s)
oscr#37 (CHEBI:79159) is conjugate acid of oscr#37(1−) (CHEBI:140047)
IUPAC Name 
(2E)-21-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]henicos-2-enoate