CHEBI:186509 - PI(22:1(11Z)/15:0)

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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(22:1(11Z)/15:0)
ChEBI ID CHEBI:186509
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C46H87O13P
Net Charge 0
Average Mass 879.163
Monoisotopic Mass 878.58843
InChI InChI=1S/C46H87O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-30-32-34-39(47)56-36-38(58-40(48)35-33-31-29-27-24-16-14-12-10-8-6-4-2)37-57-60(54,55)59-46-44(52)42(50)41(49)43(51)45(46)53/h19-20,38,41-46,49-53H,3-18,21-37H2,1-2H3,(H,54,55)/b20-19-/t38-,41?,42-,43?,44?,45?,46?/m1/s1
InChIKey AISHAWSXXLQZJO-FVUZWMTOSA-N
SMILES P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)(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(22:1(11Z)/15:0) (CHEBI:186509) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name
[(2R)-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-2-pentadecanoyloxypropyl] (Z)-docos-11-enoate
Manual Xref Database
LMGP06010698 LIPID MAPS
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