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CHEBI:185693 - PI(15:0/22:2(13Z,16Z))

ChEBI IDCHEBI:185693
ChEBI NamePI(15:0/22:2(13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H85O13P
Net Charge0
Average Mass877.147
Monoisotopic Mass876.57278
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C46H85O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(48)58-38(36-56-39(47)34-32-30-28-26-24-16-14-12-10-8-6-4-2)37-57-60(54,55)59-46-44(52)42(50)41(49)43(51)45(46)53/h11,13,17-18,38,41-46,49-53H,3-10,12,14-16,19-37H2,1-2H3,(H,54,55)/b13-11-,18-17-/t38-,41?,42-,43?,44?,45?,46?/m1/s1
InChIKeyYYXMFWLPLXIEMS-NQAXEAPTSA-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(15:0/22:2(13Z,16Z)) (CHEBI:185693) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-pentadecanoyloxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
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