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CHEBI:185996 - PI(18:4(6Z,9Z,12Z,15Z)/21:0)

ChEBI IDCHEBI:185996
ChEBI NamePI(18:4(6Z,9Z,12Z,15Z)/21:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H85O13P
Net Charge0
Average Mass901.169
Monoisotopic Mass900.57278
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C48H85O13P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-42(50)60-40(39-59-62(56,57)61-48-46(54)44(52)43(51)45(53)47(48)55)38-58-41(49)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,22,26,28,40,43-48,51-55H,3-5,7,9-11,13,15-17,19-21,23-25,27,29-39H2,1-2H3,(H,56,57)/b8-6-,14-12-,22-18-,28-26-/t40-,43?,44-,45?,46?,47?,48?/m1/s1
InChIKeyNOBMOOAIMDOAJE-PZUSNQCHSA-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(18:4(6Z,9Z,12Z,15Z)/21:0) (CHEBI:185996) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropan-2-yl] henicosanoate
Manual XrefsDatabases
LMGP06010418LIPID MAPS