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CHEBI:186083 - PI(22:0/18:4(6Z,9Z,12Z,15Z))

ChEBI IDCHEBI:186083
ChEBI NamePI(22:0/18:4(6Z,9Z,12Z,15Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H87O13P
Net Charge0
Average Mass915.196
Monoisotopic Mass914.58843
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C49H87O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(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)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,23,28,30,41,44-49,52-56H,3-5,7,9-11,13,15-17,19-22,24-27,29,31-40H2,1-2H3,(H,57,58)/b8-6-,14-12-,23-18-,30-28-/t41-,44?,45-,46?,47?,48?,49?/m1/s1
InChIKeyWBHIZKYWCBTOBU-ZOIMKCODSA-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(22:0/18:4(6Z,9Z,12Z,15Z)) (CHEBI:186083) 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] docosanoate
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