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CHEBI:186560 - PI(21:0/20:3(8Z,11Z,14Z))

ChEBI IDCHEBI:186560
ChEBI NamePI(21:0/20:3(8Z,11Z,14Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H91O13P
Net Charge0
Average Mass931.239
Monoisotopic Mass930.61973
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C50H91O13P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-43(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)39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,25,27,42,45-50,53-57H,3-11,13,15-17,19,21-24,26,28-41H2,1-2H3,(H,58,59)/b14-12-,20-18-,27-25-/t42-,45?,46-,47?,48?,49?,50?/m1/s1
InChIKeyCIRRTKJOYYTACY-JHXWGSRVSA-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(21:0/20:3(8Z,11Z,14Z)) (CHEBI:186560) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxypropyl] henicosanoate
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