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CHEBI:187423 - PI(13:0/20:4(5Z,8Z,11Z,14Z))

ChEBI IDCHEBI:187423
ChEBI NamePI(13:0/20:4(5Z,8Z,11Z,14Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H73O13P
Net Charge0
Average Mass817.007
Monoisotopic Mass816.47888
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C42H73O13P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-36(44)54-34(32-52-35(43)30-28-26-24-22-14-12-10-8-6-4-2)33-53-56(50,51)55-42-40(48)38(46)37(45)39(47)41(42)49/h11,13,16-17,19-20,23,25,34,37-42,45-49H,3-10,12,14-15,18,21-22,24,26-33H2,1-2H3,(H,50,51)/b13-11-,17-16-,20-19-,25-23-/t34-,37?,38-,39?,40?,41?,42?/m1/s1
InChIKeyHOLCGPXDAVVNQK-JEBGFBNVSA-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(13:0/20:4(5Z,8Z,11Z,14Z)) (CHEBI:187423) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-tridecanoyloxypropan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Manual XrefsDatabases
LMGP06010054LIPID MAPS