CHEBI:186438 - PI(17:2(9Z,12Z)/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(17:2(9Z,12Z)/22:2(13Z,16Z))
ChEBI ID CHEBI:186438
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C48H85O13P
Net Charge 0
Average Mass 901.169
Monoisotopic Mass 900.57278
InChI InChI=1S/C48H85O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-42(50)60-40(39-59-62(56,57)61-48-46(54)44(52)43(51)45(53)47(48)55)38-58-41(49)36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h10-13,16-19,40,43-48,51-55H,3-9,14-15,20-39H2,1-2H3,(H,56,57)/b12-10-,13-11-,18-16-,19-17-/t40-,43?,44-,45?,46?,47?,48?/m1/s1
InChIKey QHJAFTLLJAVBFR-LXLFHVEVSA-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)CCCCCCC/C=C\C/C=C\CCCC)(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(17:2(9Z,12Z)/22:2(13Z,16Z)) (CHEBI:186438) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name
[(2R)-1-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
Manual Xref Database
LMGP06010273 LIPID MAPS
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