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CHEBI:230123 - PI(16:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14))

ChEBI IDCHEBI:230123
ChEBI NamePI(16:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H79O14P
Net Charge0
Average Mass899.109
Monoisotopic Mass898.52074
SMILESCC/C=C\C/C=C\CC(O)/C=C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC1[C@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O
InChIInChI=1S/C47H79O14P/c1-3-5-7-9-11-12-13-14-15-19-22-26-30-34-40(49)58-36-39(37-59-62(56,57)61-47-45(54)43(52)42(51)44(53)46(47)55)60-41(50)35-31-27-23-20-17-16-18-21-25-29-33-38(48)32-28-24-10-8-6-4-2/h6,8,16-17,21,23-25,27-29,33,38-39,42-48,51-55H,3-5,7,9-15,18-20,22,26,30-32,34-37H2,1-2H3,(H,56,57)/b8-6-,17-16-,25-21-,27-23-,28-24-,33-29+/t38?,39-,42?,43-,44+,45-,46-,47?/m1/s1
InChIKeyMFTDFKUSGMDGFW-YLQFUDFFSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PI(16:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)) (CHEBI:230123) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-1-hexadecanoyloxy-3-[hydroxy-[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (4Z,7Z,10Z,12E,16Z,19Z)-14-hydroxydocosa-4,7,10,12,16,19-hexaenoate