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CHEBI:183173 - PI(O-16:0/22:2(13Z,16Z))

ChEBI IDCHEBI:183173
ChEBI NamePI(O-16:0/22:2(13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H89O12P
Net Charge0
Average Mass877.191
Monoisotopic Mass876.60916
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C47H89O12P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-41(48)58-40(38-56-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2)39-57-60(54,55)59-47-45(52)43(50)42(49)44(51)46(47)53/h11,13,17,19,40,42-47,49-53H,3-10,12,14-16,18,20-39H2,1-2H3,(H,54,55)/b13-11-,19-17-/t40-,42?,43-,44?,45?,46?,47?/m1/s1
InChIKeyOKGIXRNOXJRDCL-NCOGTRLGSA-N
Species of MetaboliteComponentSourceComments
Trypanosoma brucei (ncbitaxon:5691) cell culture (BTO:0000214) MetaboLights (MTBLS2559)
ChEBI Ontology
Outgoing Relation(s)
PI(O-16:0/22:2(13Z,16Z)) (CHEBI:183173) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-1-hexadecoxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
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