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CHEBI:185788 - PGA2 1,15-lactone

ChEBI IDCHEBI:185788
ChEBI NamePGA2 1,15-lactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O3
Net Charge0
Average Mass316.441
Monoisotopic Mass316.20384
SMILES[H][C@@]12C/C=C\CCCC(=O)O[C@@H](CCCCC)/C=C/[C@@]1([H])C=CC2=O
InChIInChI=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
InChIKeyXVEUTSYMDSLSBX-FOSBLDSVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
24822069ChemSpider
LMFA03010200LIPID MAPS