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CHEBI:230648 - PI(20:0/20:3(6,8,11)-OH(5))

ChEBI IDCHEBI:230648
ChEBI NamePI(20:0/20:3(6,8,11)-OH(5))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H89O14P
Net Charge0
Average Mass933.211
Monoisotopic Mass932.59899
SMILESCCCCCCCC/C=C/C/C=C/C=C/C(O)CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC1[C@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O
InChIInChI=1S/C49H89O14P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-36-42(51)60-38-41(39-61-64(58,59)63-49-47(56)45(54)44(53)46(55)48(49)57)62-43(52)37-33-35-40(50)34-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h21,23,27,29,31,34,40-41,44-50,53-57H,3-20,22,24-26,28,30,32-33,35-39H2,1-2H3,(H,58,59)/b23-21+,29-27+,34-31+/t40?,41-,44?,45-,46+,47-,48-,49?/m1/s1
InChIKeyYQPMFWYNFYKNKR-IXPQZROMSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PI(20:0/20:3(6,8,11)-OH(5)) (CHEBI:230648) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-1-[hydroxy-[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-icosanoyloxypropan-2-yl] (6E,8E,11E)-5-hydroxyicosa-6,8,11-trienoate