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CHEBI:186900 - PI(12:0/20:4(5Z,8Z,11Z,14Z))

ChEBI IDCHEBI:186900
ChEBI NamePI(12:0/20:4(5Z,8Z,11Z,14Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H71O13P
Net Charge0
Average Mass802.980
Monoisotopic Mass802.46323
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C41H71O13P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-35(43)53-33(31-51-34(42)29-27-25-23-21-12-10-8-6-4-2)32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48/h11,13,15-16,18-19,22,24,33,36-41,44-48H,3-10,12,14,17,20-21,23,25-32H2,1-2H3,(H,49,50)/b13-11-,16-15-,19-18-,24-22-/t33-,36?,37-,38?,39?,40?,41?/m1/s1
InChIKeyCWCALGUMYCQMED-OMOWUUOWSA-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(12:0/20:4(5Z,8Z,11Z,14Z)) (CHEBI:186900) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-1-dodecanoyloxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Manual XrefsDatabases
LMGP06010030LIPID MAPS