CHEBI:186127 - PI(20:3(8Z,11Z,14Z)/21:0)

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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(20:3(8Z,11Z,14Z)/21:0)
ChEBI ID CHEBI:186127
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C50H91O13P
Net Charge 0
Average Mass 931.239
Monoisotopic Mass 930.61973
InChI InChI=1S/C50H91O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-44(52)62-42(41-61-64(58,59)63-50-48(56)46(54)45(53)47(55)49(50)57)40-60-43(51)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24,26,42,45-50,53-57H,3-11,13,15-17,19,21-23,25,27-41H2,1-2H3,(H,58,59)/b14-12-,20-18-,26-24-/t42-,45?,46-,47?,48?,49?,50?/m1/s1
InChIKey CUFSGLHINFHUNE-QJMRQPMNSA-N
SMILES P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCC/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(20:3(8Z,11Z,14Z)/21:0) (CHEBI:186127) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxypropan-2-yl] henicosanoate
Manual Xref Database
LMGP06010582 LIPID MAPS
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