EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:185811 - PI(14:0/0:0)

ChEBI IDCHEBI:185811
ChEBI NamePI(14:0/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H45O12P
Net Charge0
Average Mass544.575
Monoisotopic Mass544.26486
SMILESCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C23H45O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(25)33-14-16(24)15-34-36(31,32)35-23-21(29)19(27)18(26)20(28)22(23)30/h16,18-24,26-30H,2-15H2,1H3,(H,31,32)/t16-,18?,19-,20?,21?,22?,23?/m1/s1
InChIKeyFEWCZOSQEKFJGK-SWMGSULVSA-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(14:0/0:0) (CHEBI:185811) is a 1-acylglycerophosphoinositol (CHEBI:16617)
IUPAC Name 
[(2R)-2-hydroxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] tetradecanoate
Manual XrefsDatabases
LMGP06050008LIPID MAPS