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CHEBI:185897 - PI(22:0/20:3(8Z,11Z,14Z))

ChEBI IDCHEBI:185897
ChEBI NamePI(22:0/20:3(8Z,11Z,14Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H93O13P
Net Charge0
Average Mass945.266
Monoisotopic Mass944.63538
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C51H93O13P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(52)61-41-43(42-62-65(59,60)64-51-49(57)47(55)46(54)48(56)50(51)58)63-45(53)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,26,28,43,46-51,54-58H,3-11,13,15-17,19,21-25,27,29-42H2,1-2H3,(H,59,60)/b14-12-,20-18-,28-26-/t43-,46?,47-,48?,49?,50?,51?/m1/s1
InChIKeyCABDAOVLKAOQGE-CEELMBTISA-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(22:0/20:3(8Z,11Z,14Z)) (CHEBI:185897) 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] docosanoate
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