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CHEBI:186522 - PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/19:0)

ChEBI IDCHEBI:186522
ChEBI NamePI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/19:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H85O13P
Net Charge0
Average Mass925.191
Monoisotopic Mass924.57278
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C50H85O13P/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-26-28-30-32-34-36-38-43(51)60-40-42(41-61-64(58,59)63-50-48(56)46(54)45(53)47(55)49(50)57)62-44(52)39-37-35-33-31-29-27-24-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22-23,26,28,32,34,42,45-50,53-57H,3-4,6,8-10,12,14-16,18,20-21,24-25,27,29-31,33,35-41H2,1-2H3,(H,58,59)/b7-5-,13-11-,19-17-,23-22-,28-26-,34-32-/t42-,45?,46-,47?,48?,49?,50?/m1/s1
InChIKeyJKJNQRGQJMQHSC-RNVMMKBYSA-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(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/19:0) (CHEBI:186522) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-2-nonadecanoyloxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
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