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CHEBI:230369 - PI(18:0/6 keto-PGF1alpha)

ChEBI IDCHEBI:230369
ChEBI NamePI(18:0/6 keto-PGF1alpha)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H85O17P
Net Charge0
Average Mass953.154
Monoisotopic Mass952.55244
SMILESCCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1COP(=O)(O)O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CC(=O)CCCCC(=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/C47H85O17P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-25-40(52)61-31-35-32-62-65(59,60)64-47-45(57)42(54)36(28-27-33(48)23-19-6-4-2)38(50)30-39(51)37(43(55)44(56)46(47)58)29-34(49)24-21-22-26-41(53)63-35/h27-28,33,35-39,42-48,50-51,54-58H,3-26,29-32H2,1-2H3,(H,59,60)/b28-27+/t33-,35+,36-,37-,38+,39-,42+,43+,44-,45+,46+,47+/m0/s1
InChIKeyXQKXCEZLKLNDTJ-LZNLWPMLSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PI(18:0/6 keto-PGF1alpha) (CHEBI:230369) 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-[(E,3S)-3-hydroxyoct-1-enyl]-3,8,13-trioxo-2,4,7-trioxa-3lambda5-phosphabicyclo[13.6.3]tetracosan-6-yl]methyl octadecanoate
Manual XrefsDatabases
117229935ChemSpider
HMDB0276368HMDB