CHEBI:191122 - Pi(18:0/8,9-eet)

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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 Pi(18:0/8,9-eet)
ChEBI ID CHEBI:191122
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C47H83O14P
Net Charge 0
Average Mass 903.141
Monoisotopic Mass 902.55204
InChI InChI=1S/C47H83O14P/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-29-33-40(48)57-35-37(36-58-62(55,56)61-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)34-30-26-25-28-32-39-38(60-39)31-27-23-21-19-12-10-8-6-4-2/h12,19,23,25,27-28,37-39,42-47,50-54H,3-11,13-18,20-22,24,26,29-36H2,1-2H3,(H,55,56)/b19-12-,27-23-,28-25-
InChIKey NDOQUEZIKVXCIA-YAQZKPSTSA-N
SMILES P(OC1C(O)C(O)C(O)C(O)C1O)(OCC(OC(=O)CCC/C=C\CC2OC2C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(O)=O
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) Found in INS-1 cell (BTO:0002135). See: MetaboLights Study
ChEBI Ontology
Outgoing Pi(18:0/8,9-eet) (CHEBI:191122) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name
[3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-2-[(Z)-7-[3-[(2Z,5Z)-undeca-2,5-dienyl]oxiran-2-yl]hept-5-enoyl]oxypropyl] octadecanoate