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CHEBI:185044 - PI(22:2(13Z,16Z)/12:0)

ChEBI IDCHEBI:185044
ChEBI NamePI(22:2(13Z,16Z)/12:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H79O13P
Net Charge0
Average Mass835.066
Monoisotopic Mass834.52583
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCCCC
InChIInChI=1S/C43H79O13P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-25-27-29-31-36(44)53-33-35(55-37(45)32-30-28-26-23-12-10-8-6-4-2)34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50/h11,13,15-16,35,38-43,46-50H,3-10,12,14,17-34H2,1-2H3,(H,51,52)/b13-11-,16-15-/t35-,38?,39-,40?,41?,42?,43?/m1/s1
InChIKeyUHBADLKHMJIXSE-GVGYRHQGSA-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(22:2(13Z,16Z)/12:0) (CHEBI:185044) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-2-dodecanoyloxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate
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