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

ChEBI IDCHEBI:186127
ChEBI NamePI(20:3(8Z,11Z,14Z)/21:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H91O13P
Net Charge0
Average Mass931.239
Monoisotopic Mass930.61973
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCCCCCCCCCCCCC
InChIInChI=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
InChIKeyCUFSGLHINFHUNE-QJMRQPMNSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
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
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