CHEBI:185393 - PI(15:1(9Z)/17:1(9Z))

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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(15:1(9Z)/17:1(9Z))
ChEBI ID CHEBI:185393
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C41H75O13P
Net Charge 0
Average Mass 807.012
Monoisotopic Mass 806.49453
InChI InChI=1S/C41H75O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-35(43)53-33(31-51-34(42)29-27-25-23-21-19-16-14-12-10-8-6-4-2)32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48/h12,14-15,17,33,36-41,44-48H,3-11,13,16,18-32H2,1-2H3,(H,49,50)/b14-12-,17-15-/t33-,36?,37-,38?,39?,40?,41?/m1/s1
InChIKey HFGHIXJENQSKCQ-PGJDYPHOSA-N
SMILES P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCC)COC(=O)CCCCCCC/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(15:1(9Z)/17:1(9Z)) (CHEBI:185393) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-[(Z)-pentadec-9-enoyl]oxypropan-2-yl] (Z)-heptadec-9-enoate
Manual Xref Database
LMGP06010138 LIPID MAPS
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