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CHEBI:186125 - PI(20:5(5Z,8Z,11Z,14Z,17Z)/17:1(9Z))

ChEBI IDCHEBI:186125
ChEBI NamePI(20:5(5Z,8Z,11Z,14Z,17Z)/17:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H77O13P
Net Charge0
Average Mass869.083
Monoisotopic Mass868.51018
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC/C=C\CCCCCCC
InChIInChI=1S/C46H77O13P/c1-3-5-7-9-11-13-15-17-19-20-21-23-24-26-28-30-32-34-39(47)56-36-38(37-57-60(54,55)59-46-44(52)42(50)41(49)43(51)45(46)53)58-40(48)35-33-31-29-27-25-22-18-16-14-12-10-8-6-4-2/h5,7,11,13,16-19,21,23,26,28,38,41-46,49-53H,3-4,6,8-10,12,14-15,20,22,24-25,27,29-37H2,1-2H3,(H,54,55)/b7-5-,13-11-,18-16-,19-17-,23-21-,28-26-/t38-,41?,42-,43?,44?,45?,46?/m1/s1
InChIKeyMQUDJSOLWKNPIA-BCRZCFSYSA-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(20:5(5Z,8Z,11Z,14Z,17Z)/17:1(9Z)) (CHEBI:186125) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-2-[(Z)-heptadec-9-enoyl]oxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
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