PGA2 1,15-lactone (CHEBI:185788)

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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	PGA2 1,15-lactone

ChEBI ID	CHEBI:185788

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H28O3

Net Charge

Average Mass

316.441

Monoisotopic Mass

316.20384

InChI

InChI=1S/C20H28O3/c1-2-3-6-9-17-14-12-16-13-15-19(21)18(16)10-7-4-5-8-11-20(22)23-17/h4,7,12-18H,2-3,5-6,8-11H2,1H3/b7-4-,14-12+/t16-,17-,18+/m0/s1

InChIKey

XVEUTSYMDSLSBX-FOSBLDSVSA-N

SMILES

O1[C@@H](CCCCC)C=C[C@@]2([C@@](CC=CCCCC1=O)(C(=O)C=C2)[H])[H]

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study

ChEBI Ontology
Outgoing	PGA2 1,15-lactone (CHEBI:185788) is a macrolide (CHEBI:25106)

IUPAC Name

(1S,2E,4S,10Z,13R)-4-pentyl-5-oxabicyclo[11.3.0]hexadeca-2,10,15-triene-6,14-dione