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CHEBI:186010 - punaglandin 6

ChEBI IDCHEBI:186010
ChEBI Namepunaglandin 6
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H37ClO8
Net Charge0
Average Mass501.016
Monoisotopic Mass500.21770
SMILESCCCCC/C=C\C[C@@]1(O)C=C(Cl)C(=O)[C@@H]1C[C@H](OC(C)=O)[C@H](CCCC(=O)OC)OC(C)=O
InChIInChI=1S/C25H37ClO8/c1-5-6-7-8-9-10-14-25(31)16-20(26)24(30)19(25)15-22(34-18(3)28)21(33-17(2)27)12-11-13-23(29)32-4/h9-10,16,19,21-22,31H,5-8,11-15H2,1-4H3/b10-9-/t19-,21-,22-,25+/m0/s1
InChIKeyUQSBPTWIGBVTJJ-WRXYSHGISA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
punaglandin 6 (CHEBI:186010) is a clavulone (CHEBI:36092)
IUPAC Name 
methyl (5S,6S)-5,6-diacetyloxy-7-[(1R,2S)-4-chloro-2-hydroxy-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-yl]heptanoate
Manual XrefsDatabases
LMFA03120043LIPID MAPS
4446379ChemSpider