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CHEBI:230102 - PI(PGF2alpha/16:1(9Z))

ChEBI IDCHEBI:230102
ChEBI NamePI(PGF2alpha/16:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H79O16P
Net Charge0
Average Mass907.085
Monoisotopic Mass906.51057
SMILESCCCCCC/C=C\CCCCCCCC(=O)O[C@@H]1COC(=O)CCC/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/C45H79O16P/c1-3-5-7-8-9-10-11-12-13-14-15-16-22-26-39(50)60-33-30-58-38(49)25-21-18-17-20-24-34-36(47)29-37(48)35(28-27-32(46)23-19-6-4-2)41(52)43(54)45(44(55)42(53)40(34)51)61-62(56,57)59-31-33/h10-11,17,20,27-28,32-37,40-48,51-55H,3-9,12-16,18-19,21-26,29-31H2,1-2H3,(H,56,57)/b11-10-,20-17+,28-27?/t32-,33+,34-,35-,36-,37+,40+,41+,42-,43+,44+,45+/m0/s1
InChIKeyUDGPYBPEVPYOFE-CUCGYHTRSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PI(PGF2alpha/16:1(9Z)) (CHEBI:230102) is a glycerophospholipid (CHEBI:37739)
IUPAC Name 
[(1R,6R,13E,16S,17S,19R,20S,21R,22R,23R,24S,25R)-3,17,19,21,22,23,24,25-octahydroxy-20-[(3S)-3-hydroxyoct-1-enyl]-3,9-dioxo-2,4,8-trioxa-3lambda5-phosphabicyclo[14.6.3]pentacos-13-en-6-yl] (Z)-hexadec-9-enoate