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CHEBI:187622 - PI(20:3(8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))

ChEBI IDCHEBI:187622
ChEBI NamePI(20:3(8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H79O13P
Net Charge0
Average Mass907.132
Monoisotopic Mass906.52583
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C49H79O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(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)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,30,32,41,44-49,52-56H,3-5,7,9-10,15-16,21-22,27-29,31,33-40H2,1-2H3,(H,57,58)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,32-30-/t41-,44?,45-,46?,47?,48?,49?/m1/s1
InChIKeyIOCKXQVUUKOYTO-NVXZUDPGSA-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(20:3(8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (CHEBI:187622) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypropyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate
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