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CHEBI:187370 - PI(13:0/12:0)

ChEBI IDCHEBI:187370
ChEBI NamePI(13:0/12:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H65O13P
Net Charge0
Average Mass712.855
Monoisotopic Mass712.41628
SMILESCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCCCCC
InChIInChI=1S/C34H65O13P/c1-3-5-7-9-11-13-15-16-18-20-22-27(35)44-24-26(46-28(36)23-21-19-17-14-12-10-8-6-4-2)25-45-48(42,43)47-34-32(40)30(38)29(37)31(39)33(34)41/h26,29-34,37-41H,3-25H2,1-2H3,(H,42,43)/t26-,29?,30-,31?,32?,33?,34?/m1/s1
InChIKeyXKQUMYOGLKTHHB-ZGNHYRAZSA-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(13:0/12:0) (CHEBI:187370) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-2-dodecanoyloxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] tridecanoate
Manual XrefsDatabases
LMGP06010036LIPID MAPS