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CHEBI:185559 - PI(14:1(9Z)/18:3(6Z,9Z,12Z))

ChEBI IDCHEBI:185559
ChEBI NamePI(14:1(9Z)/18:3(6Z,9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H71O13P
Net Charge0
Average Mass802.980
Monoisotopic Mass802.46323
SMILESCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C41H71O13P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(43)53-33(31-51-34(42)29-27-25-23-21-19-14-12-10-8-6-4-2)32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48/h10-13,16-17,20,22,33,36-41,44-48H,3-9,14-15,18-19,21,23-32H2,1-2H3,(H,49,50)/b12-10-,13-11-,17-16-,22-20-/t33-,36?,37-,38?,39?,40?,41?/m1/s1
InChIKeyCQGTXVMEIBPZJN-JDAMMXRUSA-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(14:1(9Z)/18:3(6Z,9Z,12Z)) (CHEBI:185559) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
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