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CHEBI:186483 - PI(19:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))

ChEBI IDCHEBI:186483
ChEBI NamePI(19:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H81O13P
Net Charge0
Average Mass897.137
Monoisotopic Mass896.54148
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\CCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C48H81O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(50)60-40(39-59-62(56,57)61-48-46(54)44(52)43(51)45(53)47(48)55)38-58-41(49)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19-20,22-23,25,29,31,40,43-48,51-55H,3-4,6,8-10,12,14-16,18,21,24,26-28,30,32-39H2,1-2H3,(H,56,57)/b7-5-,13-11-,19-17-,22-20-,25-23-,31-29-/t40-,43?,44-,45?,46?,47?,48?/m1/s1
InChIKeySIOGOZKHLVLGFK-ZHQGSFGWSA-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(19:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (CHEBI:186483) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-[(Z)-nonadec-9-enoyl]oxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
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