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CHEBI:187624 - PI(18:0/22:1(11Z))

ChEBI IDCHEBI:187624
ChEBI NamePI(18:0/22:1(11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H93O13P
Net Charge0
Average Mass921.244
Monoisotopic Mass920.63538
SMILESCCCCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C49H93O13P/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/h20-21,41,44-49,52-56H,3-19,22-40H2,1-2H3,(H,57,58)/b21-20-/t41-,44?,45-,46?,47?,48?,49?/m1/s1
InChIKeyPUAXLUSFGJQSPI-FXTQDNCKSA-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(18:0/22:1(11Z)) (CHEBI:187624) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-octadecanoyloxypropan-2-yl] (Z)-docos-11-enoate
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