EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:189904 - PI(14:0/22:2(13Z,16Z))

ChEBI IDCHEBI:189904
ChEBI NamePI(14:0/22:2(13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H83O13P
Net Charge0
Average Mass863.120
Monoisotopic Mass862.55713
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C45H83O13P/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/h11,13,16-17,37,40-45,48-52H,3-10,12,14-15,18-36H2,1-2H3,(H,53,54)/b13-11-,17-16-/t37-,40?,41-,42?,43?,44?,45?/m1/s1
InChIKeyVAGLDOJXBQJDIF-ZUJDJQHOSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
ChEBI Ontology
Outgoing Relation(s)
PI(14:0/22:2(13Z,16Z)) (CHEBI:189904) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-tetradecanoyloxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
Manual XrefsDatabases
LMGP06010075LIPID MAPS