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CHEBI:183834 - 1-(1,2-dioctanoylphosphatidyl)inositol

ChEBI IDCHEBI:183834
ChEBI Name1-(1,2-dioctanoylphosphatidyl)inositol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H47O13P
Net Charge0
Average Mass586.612
Monoisotopic Mass586.27543
SMILESCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC
InChIInChI=1S/C25H47O13P/c1-3-5-7-9-11-13-18(26)35-15-17(37-19(27)14-12-10-8-6-4-2)16-36-39(33,34)38-25-23(31)21(29)20(28)22(30)24(25)32/h17,20-25,28-32H,3-16H2,1-2H3,(H,33,34)/t17-,20?,21-,22+,23-,24-,25?/m1/s1
InChIKeyUPUKKDCTWWVPCJ-NUPIXEBLSA-N
Species of MetaboliteComponentSourceComments
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
ChEBI Ontology
Outgoing Relation(s)
1-(1,2-dioctanoylphosphatidyl)inositol (CHEBI:183834) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-3-[hydroxy-[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-2-octanoyloxypropyl] octanoate
Manual XrefsDatabases
114148ChemSpider