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CHEBI:186621 - PI(O-16:0/12:0)

ChEBI IDCHEBI:186621
ChEBI NamePI(O-16:0/12:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H73O12P
Net Charge0
Average Mass740.953
Monoisotopic Mass740.48396
SMILESCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCCCC
InChIInChI=1S/C37H73O12P/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-46-28-30(48-31(38)26-24-22-20-18-12-10-8-6-4-2)29-47-50(44,45)49-37-35(42)33(40)32(39)34(41)36(37)43/h30,32-37,39-43H,3-29H2,1-2H3,(H,44,45)/t30-,32?,33-,34?,35?,36?,37?/m1/s1
InChIKeyZETVJNVPEVTCFL-GUCXUNSNSA-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(O-16:0/12:0) (CHEBI:186621) is a glycerophosphoinositol (CHEBI:36315)
IUPAC Name 
[(2R)-1-hexadecoxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] dodecanoate
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