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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 1-(1,2-dioctanoylphosphatidyl)inositol
ChEBI ID CHEBI:183834
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H47O13P
Net Charge 0
Average Mass 586.612
Monoisotopic Mass 586.27543
InChI InChI=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
InChIKey UPUKKDCTWWVPCJ-NUPIXEBLSA-N
SMILES P(OC1[C@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O)(OC[C@H](OC(=O)CCCCCCC)COC(=O)CCCCCCC)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in small intestine (BTO:0000651). of strain C57BL/6 Mouse [THESAURUS.OWL#C14424] See: MetaboLights Study
Nippostrongylus brasiliensis (NCBI:txid27835) Found in Whole Organism (THESAURUS.OWL#C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
114148 ChemSpider
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