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CHEBI:186396 - PI(19:1(9Z)/22:2(13Z,16Z))

ChEBI IDCHEBI:186396
ChEBI NamePI(19:1(9Z)/22:2(13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H91O13P
Net Charge0
Average Mass931.239
Monoisotopic Mass930.61973
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C50H91O13P/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-44(52)62-42(41-61-64(58,59)63-50-48(56)46(54)45(53)47(55)49(50)57)40-60-43(51)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h11,13,17,19-20,24,42,45-50,53-57H,3-10,12,14-16,18,21-23,25-41H2,1-2H3,(H,58,59)/b13-11-,19-17-,24-20-/t42-,45?,46-,47?,48?,49?,50?/m1/s1
InChIKeyVZELYQZNJUDUFW-WFTVVJTRSA-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(19:1(9Z)/22:2(13Z,16Z)) (CHEBI:186396) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-[(Z)-nonadec-9-enoyl]oxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
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