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CHEBI:186558 - PI(20:2(11Z,14Z)/19:1(9Z))

ChEBI IDCHEBI:186558
ChEBI NamePI(20:2(11Z,14Z)/19:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H87O13P
Net Charge0
Average Mass903.185
Monoisotopic Mass902.58843
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC/C=C\CCCCCCCCC
InChIInChI=1S/C48H87O13P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-41(49)58-38-40(39-59-62(56,57)61-48-46(54)44(52)43(51)45(53)47(48)55)60-42(50)37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19-20,22,40,43-48,51-55H,3-10,12,14-16,18,21,23-39H2,1-2H3,(H,56,57)/b13-11-,19-17-,22-20-/t40-,43?,44-,45?,46?,47?,48?/m1/s1
InChIKeyDCMUIBISUSFPDZ-KTDGKQMCSA-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(20:2(11Z,14Z)/19:1(9Z)) (CHEBI:186558) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-2-[(Z)-nonadec-9-enoyl]oxypropyl] (11Z,14Z)-icosa-11,14-dienoate
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