EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:187533 - PI(15:0/22:0)

ChEBI IDCHEBI:187533
ChEBI NamePI(15:0/22:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H89O13P
Net Charge0
Average Mass881.179
Monoisotopic Mass880.60408
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C46H89O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(48)58-38(36-56-39(47)34-32-30-28-26-24-16-14-12-10-8-6-4-2)37-57-60(54,55)59-46-44(52)42(50)41(49)43(51)45(46)53/h38,41-46,49-53H,3-37H2,1-2H3,(H,54,55)/t38-,41?,42-,43?,44?,45?,46?/m1/s1
InChIKeyTYKFLBDWLSCVSF-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(15:0/22:0) (CHEBI:187533) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-pentadecanoyloxypropan-2-yl] docosanoate
Manual XrefsDatabases
LMGP06010124LIPID MAPS