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CHEBI:186517 - PI(21:0/18:4(6Z,9Z,12Z,15Z))

ChEBI IDCHEBI:186517
ChEBI NamePI(21:0/18:4(6Z,9Z,12Z,15Z))
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)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C48H85O13P/c1-3-5-7-9-11-13-15-17-19-20-21-23-24-26-28-30-32-34-36-41(49)58-38-40(39-59-62(56,57)61-48-46(54)44(52)43(51)45(53)47(48)55)60-42(50)37-35-33-31-29-27-25-22-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,22,27,29,40,43-48,51-55H,3-5,7,9-11,13,15-17,19-21,23-26,28,30-39H2,1-2H3,(H,56,57)/b8-6-,14-12-,22-18-,29-27-/t40-,43?,44-,45?,46?,47?,48?/m1/s1
InChIKeyHUMWMLGOBRZWBW-SJWAAYCNSA-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(21:0/18:4(6Z,9Z,12Z,15Z)) (CHEBI:186517) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropyl] henicosanoate
Manual XrefsDatabases
LMGP06010658LIPID MAPS