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CHEBI:176988 - PI(14:0/22:1(11Z))

ChEBI IDCHEBI:176988
ChEBI NamePI(14:0/22:1(11Z))
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SubmitterMetaboLights
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FormulaC45H85O13P
Net Charge0
Average Mass865.136
Monoisotopic Mass864.57278
SMILESCCCCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C45H85O13P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(47)57-37(35-55-38(46)33-31-29-27-25-23-14-12-10-8-6-4-2)36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52/h18-19,37,40-45,48-52H,3-17,20-36H2,1-2H3,(H,53,54)/b19-18-/t37-,40?,41-,42?,43?,44?,45?/m1/s1
InChIKeyPONHAMBNZIFEKT-KPYINBQTSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
PI(14:0/22:1(11Z)) (CHEBI:176988) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-tetradecanoyloxypropan-2-yl] (Z)-docos-11-enoate
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