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CHEBI:186237 - PI(17:0/20:5(5Z,8Z,11Z,14Z,17Z))

ChEBI IDCHEBI:186237
ChEBI NamePI(17:0/20:5(5Z,8Z,11Z,14Z,17Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H79O13P
Net Charge0
Average Mass871.099
Monoisotopic Mass870.52583
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C46H79O13P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-40(48)58-38(37-57-60(54,55)59-46-44(52)42(50)41(49)43(51)45(46)53)36-56-39(47)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21,23,27,29,38,41-46,49-53H,3-4,6,8-10,12,14-16,18,20,22,24-26,28,30-37H2,1-2H3,(H,54,55)/b7-5-,13-11-,19-17-,23-21-,29-27-/t38-,41?,42-,43?,44?,45?,46?/m1/s1
InChIKeyDGRNZNZECRXZCS-LYFWZFMKSA-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(17:0/20:5(5Z,8Z,11Z,14Z,17Z)) (CHEBI:186237) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-1-heptadecanoyloxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
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