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CHEBI:186997 - PI(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))

ChEBI IDCHEBI:186997
ChEBI NamePI(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H79O13P
Net Charge0
Average Mass907.132
Monoisotopic Mass906.52583
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C49H79O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(51)61-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)39-59-42(50)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,26-29,41,44-49,52-56H,3-5,7,9-10,15-16,20,24-25,30-40H2,1-2H3,(H,57,58)/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-/t41-,44?,45-,46?,47?,48?,49?/m1/s1
InChIKeyGZAAJIYXCCRJLL-POCRZSSQSA-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(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)) (CHEBI:186997) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropan-2-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
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