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CHEBI:231141 - PI(22:2(13Z,16Z)/20:3(6,8,11)-OH(5))

ChEBI IDCHEBI:231141
ChEBI NamePI(22:2(13Z,16Z)/20:3(6,8,11)-OH(5))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H89O14P
Net Charge0
Average Mass957.233
Monoisotopic Mass956.59899
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O)OC(=O)CCCC(O)/C=C/C=C/C/C=C/CCCCCCCC
InChIInChI=1S/C51H89O14P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-38-44(53)62-40-43(41-63-66(60,61)65-51-49(58)47(56)46(55)48(57)50(51)59)64-45(54)39-35-37-42(52)36-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,23,25,29,31,33,36,42-43,46-52,55-59H,3-10,12,14-16,19-22,24,26-28,30,32,34-35,37-41H2,1-2H3,(H,60,61)/b13-11-,18-17-,25-23+,31-29+,36-33+/t42?,43-,46?,47-,48+,49-,50-,51?/m1/s1
InChIKeyZRBMZVIJLHJQDV-QSIAUQBUSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PI(22:2(13Z,16Z)/20:3(6,8,11)-OH(5)) (CHEBI:231141) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-2-[(6E,8E,11E)-5-hydroxyicosa-6,8,11-trienoyl]oxy-3-[hydroxy-[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate