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CHEBI:231063 - PI(PGE2/18:0)

ChEBI IDCHEBI:231063
ChEBI NamePI(PGE2/18:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H83O16P
Net Charge0
Average Mass935.139
Monoisotopic Mass934.54187
SMILESCCCCCCCCCCCCCCCCCC(=O)O[C@@H]1COC(=O)CCC/C=C\C[C@H]2C(=O)C[C@@H](O)[C@H](/C=C/[C@@H](O)CCCCC)[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)OC1)[C@H](O)[C@@H](O)[C@@H]2O
InChIInChI=1S/C47H83O16P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-24-28-41(52)62-35-32-60-40(51)27-23-20-19-22-26-36-38(49)31-39(50)37(30-29-34(48)25-21-6-4-2)43(54)45(56)47(46(57)44(55)42(36)53)63-64(58,59)61-33-35/h19,22,29-30,34-37,39,42-48,50,53-57H,3-18,20-21,23-28,31-33H2,1-2H3,(H,58,59)/b22-19-,30-29+/t34-,35+,36-,37-,39+,42+,43+,44-,45+,46+,47+/m0/s1
InChIKeyFVUFGYWCCPESOP-YKHYBCPESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PI(PGE2/18:0) (CHEBI:231063) is a glycerophospholipid (CHEBI:37739)
IUPAC Name 
[(1R,6R,13Z,16R,19R,20S,21R,22R,23R,24S,25R)-3,19,21,22,23,24,25-heptahydroxy-20-[(E,3S)-3-hydroxyoct-1-enyl]-3,9,17-trioxo-2,4,8-trioxa-3lambda5-phosphabicyclo[14.6.3]pentacos-13-en-6-yl] octadecanoate