CHEBI:183948 - Pi(18:1/8,9-epete)

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ChEBI Name Pi(18:1/8,9-epete)
ChEBI ID CHEBI:183948
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C47H79O14P
Net Charge 0
Average Mass 899.109
Monoisotopic Mass 898.52074
InChI InChI=1S/C47H79O14P/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/h6,8,12,15-16,19,23,25,27-28,37-39,42-47,50-54H,3-5,7,9-11,13-14,17-18,20-22,24,26,29-36H2,1-2H3,(H,55,56)/b8-6-,16-15-,19-12-,27-23-,28-25-
InChIKey KKGCPLJFEXUDSC-IDDXEADPSA-N
SMILES P(OC1C(O)C(O)C(O)C(O)C1O)(OCC(OC(=O)CCC/C=C\CC2OC2C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(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 Pi(18:1/8,9-epete) (CHEBI:183948) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name
[3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-2-[(Z)-7-[3-[(2Z,5Z,8Z)-undeca-2,5,8-trienyl]oxiran-2-yl]hept-5-enoyl]oxypropyl] (Z)-octadec-9-enoate