EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:185393 - PI(15:1(9Z)/17:1(9Z))

ChEBI IDCHEBI:185393
ChEBI NamePI(15:1(9Z)/17:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H75O13P
Net Charge0
Average Mass807.012
Monoisotopic Mass806.49453
SMILESCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC/C=C\CCCCCCC
InChIInChI=1S/C41H75O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-35(43)53-33(31-51-34(42)29-27-25-23-21-19-16-14-12-10-8-6-4-2)32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48/h12,14-15,17,33,36-41,44-48H,3-11,13,16,18-32H2,1-2H3,(H,49,50)/b14-12-,17-15-/t33-,36?,37-,38?,39?,40?,41?/m1/s1
InChIKeyHFGHIXJENQSKCQ-PGJDYPHOSA-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(15:1(9Z)/17:1(9Z)) (CHEBI:185393) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-[(Z)-pentadec-9-enoyl]oxypropan-2-yl] (Z)-heptadec-9-enoate
Manual XrefsDatabases
LMGP06010138LIPID MAPS