CHEBI:186148 - PI(22:0/17:2(9Z,12Z))

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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(22:0/17:2(9Z,12Z))
ChEBI ID CHEBI:186148
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C48H89O13P
Net Charge 0
Average Mass 905.201
Monoisotopic Mass 904.60408
InChI InChI=1S/C48H89O13P/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/h10,12,16,18,40,43-48,51-55H,3-9,11,13-15,17,19-39H2,1-2H3,(H,56,57)/b12-10-,18-16-/t40-,43?,44-,45?,46?,47?,48?/m1/s1
InChIKey XCWRCJLKOSLVPG-ZHWFLAHUSA-N
SMILES P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC)(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(22:0/17:2(9Z,12Z)) (CHEBI:186148) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name
[(2R)-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] docosanoate
Manual Xref Database
LMGP06010678 LIPID MAPS
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