CHEBI:185693 - PI(15:0/22:2(13Z,16Z))

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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(15:0/22:2(13Z,16Z))
ChEBI ID CHEBI:185693
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C46H85O13P
Net Charge 0
Average Mass 877.147
Monoisotopic Mass 876.57278
InChI InChI=1S/C46H85O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(48)58-38(36-56-39(47)34-32-30-28-26-24-16-14-12-10-8-6-4-2)37-57-60(54,55)59-46-44(52)42(50)41(49)43(51)45(46)53/h11,13,17-18,38,41-46,49-53H,3-10,12,14-16,19-37H2,1-2H3,(H,54,55)/b13-11-,18-17-/t38-,41?,42-,43?,44?,45?,46?/m1/s1
InChIKey YYXMFWLPLXIEMS-NQAXEAPTSA-N
SMILES P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCC)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing PI(15:0/22:2(13Z,16Z)) (CHEBI:185693) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-pentadecanoyloxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
Manual Xref Database
LMGP06010126 LIPID MAPS
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