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CHEBI:185900 - PI(18:3(9Z,12Z,15Z)/12:0)

ChEBI IDCHEBI:185900
ChEBI NamePI(18:3(9Z,12Z,15Z)/12:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H69O13P
Net Charge0
Average Mass776.942
Monoisotopic Mass776.44758
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCCCC
InChIInChI=1S/C39H69O13P/c1-3-5-7-9-11-13-14-15-16-17-18-20-21-23-25-27-32(40)49-29-31(51-33(41)28-26-24-22-19-12-10-8-6-4-2)30-50-53(47,48)52-39-37(45)35(43)34(42)36(44)38(39)46/h5,7,11,13,15-16,31,34-39,42-46H,3-4,6,8-10,12,14,17-30H2,1-2H3,(H,47,48)/b7-5-,13-11-,16-15-/t31-,34?,35-,36?,37?,38?,39?/m1/s1
InChIKeyZUOWMZXBFUFSBY-CRWUZZDWSA-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(18:3(9Z,12Z,15Z)/12:0) (CHEBI:185900) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-2-dodecanoyloxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
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