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CHEBI:230363 - PI(18:0/PGF1alpha)

ChEBI IDCHEBI:230363
ChEBI NamePI(18:0/PGF1alpha)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H87O16P
Net Charge0
Average Mass939.171
Monoisotopic Mass938.57317
SMILESCCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1COP(=O)(O)O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CCCCCCC(=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/C47H87O16P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-23-27-40(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)26-22-19-20-24-28-41(52)62-35/h29-30,34-39,42-50,53-57H,3-28,31-33H2,1-2H3,(H,58,59)/b30-29-/t34-,35+,36-,37-,38-,39+,42+,43+,44-,45+,46+,47+/m0/s1
InChIKeyDIXAQAKLRZZDMF-WEVXSVIESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PI(18:0/PGF1alpha) (CHEBI:230363) is a glycerophospholipid (CHEBI:37739)
IUPAC Name 
[(1R,6R,15S,16S,18R,19S,20R,21R,22R,23S,24R)-3,16,18,20,21,22,23,24-octahydroxy-19-[(Z,3S)-3-hydroxyoct-1-enyl]-3,8-dioxo-2,4,7-trioxa-3lambda5-phosphabicyclo[13.6.3]tetracosan-6-yl]methyl octadecanoate