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CHEBI:186543 - PI(20:3(8Z,11Z,14Z)/20:1(11Z))

ChEBI IDCHEBI:186543
ChEBI NamePI(20:3(8Z,11Z,14Z)/20:1(11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H87O13P
Net Charge0
Average Mass915.196
Monoisotopic Mass914.58843
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)CCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C49H87O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,41,44-49,52-56H,3-10,12,14-16,21-22,24,26-40H2,1-2H3,(H,57,58)/b13-11-,19-17-,20-18-,25-23-/t41-,44?,45-,46?,47?,48?,49?/m1/s1
InChIKeyGZBQSRWJSDXPRC-UJERAPKUSA-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)/20:1(11Z)) (CHEBI:186543) 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] (Z)-icos-11-enoate
Manual XrefsDatabases
LMGP06010577LIPID MAPS