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CHEBI:185917 - PI(12:0/18:2(9Z,12Z))

ChEBI IDCHEBI:185917
ChEBI NamePI(12:0/18:2(9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H71O13P
Net Charge0
Average Mass778.958
Monoisotopic Mass778.46323
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C39H71O13P/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-33(41)51-31(29-49-32(40)27-25-23-21-19-12-10-8-6-4-2)30-50-53(47,48)52-39-37(45)35(43)34(42)36(44)38(39)46/h11,13,15-16,31,34-39,42-46H,3-10,12,14,17-30H2,1-2H3,(H,47,48)/b13-11-,16-15-/t31-,34?,35-,36?,37?,38?,39?/m1/s1
InChIKeyHZLKVGRNNQDKES-WSGUBZSVSA-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(12:0/18:2(9Z,12Z)) (CHEBI:185917) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-1-dodecanoyloxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate
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