CHEBI:190195 - PI(16:0/20:5)

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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(16:0/20:5)
ChEBI ID CHEBI:190195
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C45H77O13P
Net Charge 0
Average Mass 857.072
Monoisotopic Mass 856.51018
InChI InChI=1S/C45H77O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,37,40-45,48-52H,3-4,6,8-10,12,14-16,21-22,24,26-36H2,1-2H3,(H,53,54)/b7-5-,13-11-,19-17-,20-18-,25-23-/t37-,40?,41-,42?,43?,44?,45?/m1/s1
InChIKey NRPXUYRMHLPEFZ-XHOZZLLCSA-N
SMILES P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(O)=O
Metabolite of Species Details
Canis lupus (NCBI:txid9612) Found in liver (BTO:0000759). See: MetaboLights Study
ChEBI Ontology
Outgoing PI(16:0/20:5) (CHEBI:190195) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropan-2-yl] (Z)-octadec-9-enoate
Manual Xref Database
LMGP06010405 LIPID MAPS
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