EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:230276 - PI(18:0/PGF2alpha)

ChEBI IDCHEBI:230276
ChEBI NamePI(18:0/PGF2alpha)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H85O16P
Net Charge0
Average Mass937.155
Monoisotopic Mass936.55752
SMILESCCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1COP(=O)(O)O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CC=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/C47H85O16P/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/h19,22,29-30,34-39,42-50,53-57H,3-18,20-21,23-28,31-33H2,1-2H3,(H,58,59)/b22-19?,30-29-/t34-,35+,36-,37-,38-,39+,42+,43+,44-,45+,46+,47+/m0/s1
InChIKeyIQABDLMYYYICCT-SFNVIEGGSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PI(18:0/PGF2alpha) (CHEBI:230276) 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]tetracos-12-en-6-yl]methyl octadecanoate