(S)-Bromoenol lactone (CHEBI:194260)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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	(S)-Bromoenol lactone

ChEBI ID	CHEBI:194260

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H13BrO2

Net Charge

Average Mass

317.182

Monoisotopic Mass

316.00989

InChI

InChI=1S/C16H13BrO2/c17-10-12-8-9-15(16(18)19-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,10,15H,8-9H2/b12-10+/t15-/m0/s1

InChIKey

BYUCSFWXCMTYOI-PABFRNLHSA-N

SMILES

Br\C=C/1\OC(=O)[C@@](CC1)(C=2C=3C(C=CC2)=CC=CC3)[H]

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in peripheral blood mononuclear cell (BTO:0001025). See: MetaboLights Study

ChEBI Ontology
Outgoing	(S)-Bromoenol lactone (CHEBI:194260) is a naphthalenes (CHEBI:25477)

IUPAC Name

(3S,6E)-6-(bromomethylidene)-3-naphthalen-1-yloxan-2-one