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CHEBI:185967 - PI(20:3(8Z,11Z,14Z)/22:0)

ChEBI IDCHEBI:185967
ChEBI NamePI(20:3(8Z,11Z,14Z)/22:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H93O13P
Net Charge0
Average Mass945.266
Monoisotopic Mass944.63538
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C51H93O13P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(53)63-43(42-62-65(59,60)64-51-49(57)47(55)46(54)48(56)50(51)58)41-61-44(52)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,25,27,43,46-51,54-58H,3-11,13,15-17,19,21-24,26,28-42H2,1-2H3,(H,59,60)/b14-12-,20-18-,27-25-/t43-,46?,47-,48?,49?,50?,51?/m1/s1
InChIKeyCQHOQMYGIPEKAL-SLFKXIBESA-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(20:3(8Z,11Z,14Z)/22:0) (CHEBI:185967) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxypropan-2-yl] docosanoate
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