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CHEBI:185935 - PI(15:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Default Structure
ChEBI IDCHEBI:185935
ChEBI NamePI(15:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H75O13P
Net Charge0
Average Mass867.067
Monoisotopic Mass866.49453
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C46H75O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(48)58-38(36-56-39(47)34-32-30-28-26-24-16-14-12-10-8-6-4-2)37-57-60(54,55)59-46-44(52)42(50)41(49)43(51)45(46)53/h5,7,11-14,17-18,20-21,23,25,29,31,38,41-46,49-53H,3-4,6,8-10,15-16,19,22,24,26-28,30,32-37H2,1-2H3,(H,54,55)/b7-5-,13-11-,14-12-,18-17-,21-20-,25-23-,31-29-/t38-,41?,42-,43?,44?,45?,46?/m1/s1
InChIKeyWMYDIWPMLIKXTB-YOJDEWIKSA-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(15:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (CHEBI:185935) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-[(Z)-pentadec-9-enoyl]oxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
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