ChEBI

CHEBI:194399 - (2R)-1-[(Hydroxy{[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-3-[(9Z)-9-octadecenoyloxy]-2-propanyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate

ChEBI Name (2R)-1-[(Hydroxy{[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-3-[(9Z)-9-octadecenoyloxy]-2-propanyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate ChEBI ID CHEBI:194399 Stars This entity has been manually annotated by a third party. Submitter MetaboLights Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C47H81O13P Net Charge 0 Average Mass 885.126 Monoisotopic Mass 884.54148 InChI InChI=1S/C47H81O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-22,24,28,30,39,42-47,50-54H,3-10,12,14-16,20,23,25-27,29,31-38H2,1-2H3,(H,55,56)/b13-11-,19-17-,21-18-,24-22-,30-28-/t39-,42?,43-,44+,45-,46-,47?/m1/s1 InChIKey SHIZRFSRTKXRQL-WAEQFISDSA-N SMILES P(OC1[C@H](O)[C@@H](O)C(O)[C@@H](O)[C@H]1O)(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(O)=O Metabolite of Species Details Mus musculus (NCBI:txid10090) Found in cerebral cortex (BTO:0000233). See: MetaboLights Study ChEBI Ontology Outgoing (2R)-1-[(Hydroxy{[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-3-[(9Z)-9-octadecenoyloxy]-2-propanyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate (CHEBI:194399) is a phosphatidylinositol (CHEBI:28874) IUPAC Name [(2R)-1-[hydroxy-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate Manual Xrefs Databases 59664390 ChemSpider HMDB0062586 HMDB View more database links