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CHEBI:187483 - PI(12:0/13:0)

ChEBI IDCHEBI:187483
ChEBI NamePI(12:0/13:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H65O13P
Net Charge0
Average Mass712.855
Monoisotopic Mass712.41628
SMILESCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C34H65O13P/c1-3-5-7-9-11-13-15-17-19-21-23-28(36)46-26(24-44-27(35)22-20-18-16-14-12-10-8-6-4-2)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
InChIKeyJJJSCQBZLBNEIB-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(12:0/13:0) (CHEBI:187483) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-1-dodecanoyloxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] tridecanoate
Manual XrefsDatabases
LMGP06010003LIPID MAPS
7826089ChemSpider