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CHEBI:186509 - PI(22:1(11Z)/15:0)

ChEBI IDCHEBI:186509
ChEBI NamePI(22:1(11Z)/15:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H87O13P
Net Charge0
Average Mass879.163
Monoisotopic Mass878.58843
SMILESCCCCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCCCCCCC
InChIInChI=1S/C46H87O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-30-32-34-39(47)56-36-38(58-40(48)35-33-31-29-27-24-16-14-12-10-8-6-4-2)37-57-60(54,55)59-46-44(52)42(50)41(49)43(51)45(46)53/h19-20,38,41-46,49-53H,3-18,21-37H2,1-2H3,(H,54,55)/b20-19-/t38-,41?,42-,43?,44?,45?,46?/m1/s1
InChIKeyAISHAWSXXLQZJO-FVUZWMTOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
PI(22:1(11Z)/15:0) (CHEBI:186509) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-2-pentadecanoyloxypropyl] (Z)-docos-11-enoate
Manual XrefsDatabases
LMGP06010698LIPID MAPS