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CHEBI:185915 - PI(16:1(9Z)/22:2(13Z,16Z))

ChEBI IDCHEBI:185915
ChEBI NamePI(16:1(9Z)/22:2(13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H85O13P
Net Charge0
Average Mass889.158
Monoisotopic Mass888.57278
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C47H85O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13-14,16-18,39,42-47,50-54H,3-10,12,15,19-38H2,1-2H3,(H,55,56)/b13-11-,16-14-,18-17-/t39-,42?,43-,44?,45?,46?,47?/m1/s1
InChIKeyPZRHVMVZJBHIOK-JXYPGTSJSA-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(16:1(9Z)/22:2(13Z,16Z)) (CHEBI:185915) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-1-[(Z)-hexadec-9-enoyl]oxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
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