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CHEBI:186551 - PI(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))

ChEBI IDCHEBI:186551
ChEBI NamePI(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H77O13P
Net Charge0
Average Mass881.094
Monoisotopic Mass880.51018
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C47H77O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(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)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-22,24,28,30,39,42-47,50-54H,3-4,6,8-10,15-16,20,23,25-27,29,31-38H2,1-2H3,(H,55,56)/b7-5-,13-11-,14-12-,19-17-,21-18-,24-22-,30-28-/t39-,42?,43-,44?,45?,46?,47?/m1/s1
InChIKeyPJGBJPJEYMOHKG-MKIPRUCSSA-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(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (CHEBI:186551) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
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LMGP06010328LIPID MAPS