CHEBI:186099 - PI(22:4(7Z,10Z,13Z,16Z)/17:1(9Z))

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ChEBI Name PI(22:4(7Z,10Z,13Z,16Z)/17:1(9Z))
ChEBI ID CHEBI:186099
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C48H83O13P
Net Charge 0
Average Mass 899.153
Monoisotopic Mass 898.55713
InChI InChI=1S/C48H83O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-26-28-30-32-34-36-41(49)58-38-40(39-59-62(56,57)61-48-46(54)44(52)43(51)45(53)47(48)55)60-42(50)37-35-33-31-29-27-24-18-16-14-12-10-8-6-4-2/h11,13,16-19,21-22,25-26,40,43-48,51-55H,3-10,12,14-15,20,23-24,27-39H2,1-2H3,(H,56,57)/b13-11-,18-16-,19-17-,22-21-,26-25-/t40-,43?,44-,45?,46?,47?,48?/m1/s1
InChIKey KEBGRXYCJWBYQY-KEDDOPAUSA-N
SMILES P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/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(22:4(7Z,10Z,13Z,16Z)/17:1(9Z)) (CHEBI:186099) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name
[(2R)-2-[(Z)-heptadec-9-enoyl]oxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Manual Xref Database
LMGP06010765 LIPID MAPS
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