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CHEBI:187505 - PI(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))

ChEBI IDCHEBI:187505
ChEBI NamePI(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H77O13P
Net Charge0
Average Mass881.094
Monoisotopic Mass880.51018
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C47H77O13P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26-29,39,42-47,50-54H,3-10,15-16,20,24-25,30-38H2,1-2H3,(H,55,56)/b13-11-,14-12-,19-17-,21-18-,23-22-,28-26-,29-27-/t39-,42?,43-,44?,45?,46?,47?/m1/s1
InChIKeyVLSHLZWIHVUOTB-FEDSHPMWSA-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(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)) (CHEBI:187505) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
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