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CHEBI:186166 - PI(18:3(6Z,9Z,12Z)/16:0)

ChEBI IDCHEBI:186166
ChEBI NamePI(18:3(6Z,9Z,12Z)/16:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H77O13P
Net Charge0
Average Mass833.050
Monoisotopic Mass832.51018
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C43H77O13P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)53-33-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)55-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13,17-18,21,23,35,38-43,46-50H,3-10,12,14-16,19-20,22,24-34H2,1-2H3,(H,51,52)/b13-11-,18-17-,23-21-/t35-,38?,39-,40?,41?,42?,43?/m1/s1
InChIKeyPYAOWRRAKXBBTO-RZAVKECTSA-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(18:3(6Z,9Z,12Z)/16:0) (CHEBI:186166) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
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