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CHEBI:230200 - PI(22:4(10Z,13Z,16Z,19Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

ChEBI IDCHEBI:230200
ChEBI NamePI(22:4(10Z,13Z,16Z,19Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H83O15P
Net Charge0
Average Mass991.206
Monoisotopic Mass990.54696
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O)OC(=O)CCC/C=C\[C@@H](O)/C=C/C=C\C/C=C\C=C\[C@@H](O)C/C=C\CC
InChIInChI=1S/C53H83O15P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-33-39-46(56)65-41-45(42-66-69(63,64)68-53-51(61)49(59)48(58)50(60)52(53)62)67-47(57)40-34-28-32-38-44(55)37-31-26-23-21-22-25-30-36-43(54)35-29-6-4-2/h5-7,9-10,12-13,15-16,22-23,25-26,29-32,36-38,43-45,48-55,58-62H,3-4,8,11,14,17-21,24,27-28,33-35,39-42H2,1-2H3,(H,63,64)/b7-5-,10-9-,13-12-,16-15-,25-22-,26-23-,29-6-,36-30+,37-31+,38-32-/t43-,44-,45+,48?,49-,50+,51+,52+,53?/m0/s1
InChIKeyDDKKRJZQBNXKKB-JTMRZPPJSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PI(22:4(10Z,13Z,16Z,19Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) (CHEBI:230200) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-1-[(10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoyl]oxy-3-[hydroxy-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (5Z,7R,8E,10Z,13Z,15E,17S,19Z)-7,17-dihydroxydocosa-5,8,10,13,15,19-hexaenoate