bkos#9 (CHEBI:139960)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	bkos#9

ChEBI ID	CHEBI:139960

Definition	An ω-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of 5-hydroxy-3-oxopentanoic acid with ascarylopyranose (the α anomer).

Stars	This entity has been manually annotated by a third party.

Submitter	Michael Witting

Supplier Information

Download	Molfile XML SDF

Formula

C11H18O7

Net Charge

Average Mass

262.257

Monoisotopic Mass

262.10525

InChI

InChI=1S/C11H18O7/c1-6-8(13)5-9(14)11(18-6)17-3-2-7(12)4-10(15)16/h6,8-9,11,13-14H,2-5H2,1H3,(H,15,16)/t6-,8+,9+,11+/m0/s1

InChIKey

XKFOFXRCSUBDPV-YXYNTAJPSA-N

SMILES

C[C@@H]1O[C@@H](OCCC(=O)CC(O)=O)[C@H](O)C[C@H]1O

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	semiochemical A molecular messenger released by an organism that affects the behaviour within or between species. (via hydroxy fatty acid ascaroside )

ChEBI Ontology
Outgoing	bkos#9 (CHEBI:139960) is a ω-hydroxy fatty acid ascaroside (CHEBI:79204) bkos#9 (CHEBI:139960) is a 3-oxo monocarboxylic acid (CHEBI:47881) bkos#9 (CHEBI:139960) is conjugate acid of bkos#9(1−) (CHEBI:139961)

Incoming	bkos#9-CoA (CHEBI:139962) has functional parent bkos#9 (CHEBI:139960) bkos#9(1−) (CHEBI:139961) is conjugate base of bkos#9 (CHEBI:139960)

IUPAC Name

5-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]-3-oxopentanoic acid

Last Modified

16 March 2018