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CHEBI:230946 - PI(20:1(11Z)/5-iso PGF2VI)

Default Structure
ChEBI IDCHEBI:230946
ChEBI NamePI(20:1(11Z)/5-iso PGF2VI)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H83O16P
Net Charge0
Average Mass935.139
Monoisotopic Mass934.54187
SMILESCCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@@H]1COP(=O)(O)O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](C/C=C\CC(=O)O1)[C@@H](O)C[C@@H](O)[C@H](/C=C\[C@H](O)CCCCC)[C@@H](O)[C@H]2O
InChIInChI=1S/C47H83O16P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-27-40(51)60-32-35-33-61-64(58,59)63-47-45(56)43(54)37(30-29-34(48)25-21-6-4-2)39(50)31-38(49)36(42(53)44(55)46(47)57)26-23-24-28-41(52)62-35/h12-13,23-24,29-30,34-39,42-50,53-57H,3-11,14-22,25-28,31-33H2,1-2H3,(H,58,59)/b13-12-,24-23-,30-29-/t34-,35-,36-,37+,38+,39-,42-,43-,44+,45-,46-,47-/m1/s1
InChIKeyKGQWFPSPFSUFBJ-AAVQWYAESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PI(20:1(11Z)/5-iso PGF2VI) (CHEBI:230946) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
[(1R,6R,10Z,13R,14S,16R,17S,18R,19R,20R,21S,22R)-3,14,16,18,19,20,21,22-octahydroxy-17-[(Z,3R)-3-hydroxyoct-1-enyl]-3,8-dioxo-2,4,7-trioxa-3lambda5-phosphabicyclo[11.6.3]docos-10-en-6-yl]methyl (Z)-icos-11-enoate