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CHEBI:187494 - PI(16:0/21:0)

ChEBI IDCHEBI:187494
ChEBI NamePI(16:0/21:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H89O13P
Net Charge0
Average Mass881.179
Monoisotopic Mass880.60408
SMILESCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C46H89O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-40(48)58-38(37-57-60(54,55)59-46-44(52)42(50)41(49)43(51)45(46)53)36-56-39(47)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h38,41-46,49-53H,3-37H2,1-2H3,(H,54,55)/t38-,41?,42-,43?,44?,45?,46?/m1/s1
InChIKeyDMHCIHNLPQMIEE-NNPCEOGRSA-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(16:0/21:0) (CHEBI:187494) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-1-hexadecanoyloxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] henicosanoate
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LMGP06010166LIPID MAPS