CHEBI:185044 - PI(22:2(13Z,16Z)/12:0)

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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(22:2(13Z,16Z)/12:0)
ChEBI ID CHEBI:185044
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C43H79O13P
Net Charge 0
Average Mass 835.066
Monoisotopic Mass 834.52583
InChI InChI=1S/C43H79O13P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-25-27-29-31-36(44)53-33-35(55-37(45)32-30-28-26-23-12-10-8-6-4-2)34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50/h11,13,15-16,35,38-43,46-50H,3-10,12,14,17-34H2,1-2H3,(H,51,52)/b13-11-,16-15-/t35-,38?,39-,40?,41?,42?,43?/m1/s1
InChIKey UHBADLKHMJIXSE-GVGYRHQGSA-N
SMILES P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)(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(22:2(13Z,16Z)/12:0) (CHEBI:185044) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name
[(2R)-2-dodecanoyloxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate
Manual Xref Database
LMGP06010725 LIPID MAPS
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