5S,6S-epoxy-7-undecynoic acid (CHEBI:177987)

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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	5S,6S-epoxy-7-undecynoic acid

ChEBI ID	CHEBI:177987

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H16O3

Net Charge

Average Mass

196.246

Monoisotopic Mass

196.10994

InChI

InChI=1S/C11H16O3/c1-2-3-4-6-9-10(14-9)7-5-8-11(12)13/h9-10H,2-3,5,7-8H2,1H3,(H,12,13)/t9-,10-/m0/s1

InChIKey

QHOHOFWVHHZVOP-UWVGGRQHSA-N

SMILES

O1[C@H]([C@@H]1C#CCCC)CCCC(O)=O

Metabolite of Species	Details
Bombyx mori (NCBI:txid7091)	Found in hemolymph (BTO:0000572). See: MetaboLights Study

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

ChEBI Ontology
Outgoing	5S,6S-epoxy-7-undecynoic acid (CHEBI:177987) is a epoxy fatty acid (CHEBI:61498)

IUPAC Name

4-[(2S,3S)-3-pent-1-ynyloxiran-2-yl]butanoic acid