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CHEBI:184219 - PI(22:1(11Z)/18:2(9Z,12Z))

ChEBI IDCHEBI:184219
ChEBI NamePI(22:1(11Z)/18:2(9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H89O13P
Net Charge0
Average Mass917.212
Monoisotopic Mass916.60408
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C49H89O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h12,14,18,20-21,23,41,44-49,52-56H,3-11,13,15-17,19,22,24-40H2,1-2H3,(H,57,58)/b14-12-,21-20-,23-18-/t41-,44?,45-,46?,47?,48?,49?/m1/s1
InChIKeyQGZDNFNMRKYBEK-GLKNWQSWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3725)
ChEBI Ontology
Outgoing Relation(s)
PI(22:1(11Z)/18:2(9Z,12Z)) (CHEBI:184219) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (Z)-docos-11-enoate
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