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CHEBI:186283 - PI(21:0/16:1(9Z))

ChEBI IDCHEBI:186283
ChEBI NamePI(21:0/16:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H87O13P
Net Charge0
Average Mass879.163
Monoisotopic Mass878.58843
SMILESCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C46H87O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-34-39(47)56-36-38(37-57-60(54,55)59-46-44(52)42(50)41(49)43(51)45(46)53)58-40(48)35-33-31-29-27-25-22-16-14-12-10-8-6-4-2/h14,16,38,41-46,49-53H,3-13,15,17-37H2,1-2H3,(H,54,55)/b16-14-/t38-,41?,42-,43?,44?,45?,46?/m1/s1
InChIKeyBBQVNPUZGQZSKN-NGSCUYRHSA-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(21:0/16:1(9Z)) (CHEBI:186283) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-2-[(Z)-hexadec-9-enoyl]oxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] henicosanoate
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