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CHEBI:230938 - PI(5-iso PGF2VI/16:0)

Default Structure
ChEBI IDCHEBI:230938
ChEBI NamePI(5-iso PGF2VI/16:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H77O16P
Net Charge0
Average Mass881.047
Monoisotopic Mass880.49492
SMILESCCCCCCCCCCCCCCCC(=O)O[C@@H]1COC(=O)C/C=C\C[C@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O)OC1)[C@H](O)[C@H](O)[C@@H](/C=C/[C@H](O)CCCCC)[C@H](O)C[C@@H]2O
InChIInChI=1S/C43H77O16P/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-24-37(48)58-31-28-56-36(47)23-20-19-22-32-34(45)27-35(46)33(26-25-30(44)21-17-6-4-2)39(50)41(52)43(42(53)40(51)38(32)49)59-60(54,55)57-29-31/h19-20,25-26,30-35,38-46,49-53H,3-18,21-24,27-29H2,1-2H3,(H,54,55)/b20-19-,26-25+/t30-,31-,32-,33+,34+,35-,38-,39-,40+,41-,42-,43-/m1/s1
InChIKeyQUEDQPVYRNGTOX-QIYCNAQESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PI(5-iso PGF2VI/16:0) (CHEBI:230938) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
[(1R,6R,11Z,14R,15S,17R,18S,19R,20R,21R,22S,23R)-3,15,17,19,20,21,22,23-octahydroxy-18-[(E,3R)-3-hydroxyoct-1-enyl]-3,9-dioxo-2,4,8-trioxa-3lambda5-phosphabicyclo[12.6.3]tricos-11-en-6-yl] hexadecanoate
Manual XrefsDatabases
117229640ChemSpider
HMDB0276073HMDB