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CHEBI:186481 - PI(14:1(9Z)/20:4(5Z,8Z,11Z,14Z))

ChEBI IDCHEBI:186481
ChEBI NamePI(14:1(9Z)/20:4(5Z,8Z,11Z,14Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H73O13P
Net Charge0
Average Mass829.018
Monoisotopic Mass828.47888
SMILESCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C43H73O13P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(45)55-35(33-53-36(44)31-29-27-25-23-21-14-12-10-8-6-4-2)34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50/h10-13,16-17,19-20,24,26,35,38-43,46-50H,3-9,14-15,18,21-23,25,27-34H2,1-2H3,(H,51,52)/b12-10-,13-11-,17-16-,20-19-,26-24-/t35-,38?,39-,40?,41?,42?,43?/m1/s1
InChIKeyNJJLSBIALGHEHE-VJTJAPBDSA-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(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)) (CHEBI:186481) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
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