EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:183831 - 1-(1,2-dihexanoylphosphatidyl)inositol-5-phosphate

ChEBI IDCHEBI:183831
ChEBI Name1-(1,2-dihexanoylphosphatidyl)inositol-5-phosphate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H40O16P2
Net Charge0
Average Mass610.483
Monoisotopic Mass610.17916
SMILESCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(OP(=O)(O)O)C1O)OC(=O)CCCCC
InChIInChI=1S/C21H40O16P2/c1-3-5-7-9-14(22)33-11-13(35-15(23)10-8-6-4-2)12-34-39(31,32)37-21-18(26)16(24)17(25)20(19(21)27)36-38(28,29)30/h13,16-21,24-27H,3-12H2,1-2H3,(H,31,32)(H2,28,29,30)
InChIKeyWBILLVRTQSQUNM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
ChEBI Ontology
Outgoing Relation(s)
1-(1,2-dihexanoylphosphatidyl)inositol-5-phosphate (CHEBI:183831) is a glycerophosphoinositol phosphate (CHEBI:35771)
IUPAC Name 
[2-hexanoyloxy-3-[hydroxy-(2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl)oxyphosphoryl]oxypropyl] hexanoate